diff --git a/Abinit/compile.sh b/Abinit/compile.sh
index 925cdacb93988a088706c5332c00d33640bba0f3..50a83705c8011ffa920e017573a87813ec3b37f0 100644
--- a/Abinit/compile.sh
+++ b/Abinit/compile.sh
@@ -1,7 +1,9 @@
-export ABINIT_ROOT="$SCRATCHDIR/Abinit"
-export ETSFIO_ROOT="$SCRATCHDIR/Etsfio"
-export XC_ROOT="$SCRATCHDIR/LibXC"
-./configure --prefix=$ABINIT_ROOT CC=mpicc CXX=mpiCC FC=mpif90 F77=mpif77 --enable-mpi=yes --enable-openmp=yes --with-linalg-flavor=mkl+scalapack --with-linalg-libs="-lscalapack -L$MKL_LIBS -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core" --with-math-flavor=gsl --with-dft-flavor=libxc --with-libxc-incs=-I$XC_ROOT/include --with-libxc-libs="-lxcf90 -lxc" --with-fft-flavor=fftw3-mkl --with-trio-flavor=netcdf  --with-etsf-io-incs=-I$ETSFIO_ROOT/include --with-etsf-io-libs="-letsf_io_low_level -letsf_io_utils -letsf_io" --with-netcdf-incs=-I. --with-netcdf-libs="-lnetcdff -lnetcdf"
+#!/bin/bash
 
-make -j 20
-make -j 20 install
+export CPATH=${MKLROOT}/include:$CPATH
+export FCFLAGS_OPENMP="-fopenmp"
+export FCFLAGS=' -extend-source -noaltparam -nofpscomp  -fopenmp'
+env CC="mpicc -fopenmp -fPIC" CXX="mpiCC -fopenmp -fPIC"  F77="mpif90 -fopenmp -fPIC" F90="mpif90 -fopenmp -fPIC" FC="mpif90 -fopenmp -fPIC" ./configure --disable-debug --enable-mpi --disable-xml --with-linalg-flavor="mkl+scalapack" --with-linalg-libs="-L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64 -mkl" --with-fft-flavor=fftw3  --with-fft-libs="-lfftw3xf_intel_pic -mkl" --with-dft-flavor="libxc+atompaw+wannier90" --enable-mpi-io --with-trio-flavor="netcdf"  --enable-gw-dpc="no" --with-tardir=/tmp/tardir --prefix=$HOME/ABINIT --enable-openmp --enable-optim
+
+make -j 40
+make install
diff --git a/Abinit/download.sh b/Abinit/download.sh
index 84d88edf1db85e40e62b369944efd4dc8a64ed8a..c352cfe7f76ac4886116ef55408ed614188dfb4e 100644
--- a/Abinit/download.sh
+++ b/Abinit/download.sh
@@ -1,7 +1,15 @@
 #!/bin/sh
 
-wget https://www.abinit.org/sites/default/files/packages/abinit-8.10.3.tar.gz
+mkdir -p /tmp/tardir
+cd /tmp/tardir
+wget http://forge.abinit.org/fallbacks/atompaw-4.0.1.0.tar.gz
+wget http://forge.abinit.org/fallbacks/libxc-3.0.0.tar.gz
+wget http://forge.abinit.org/fallbacks/netcdf-4.1.1.tar.gz
+wget http://forge.abinit.org/fallbacks/wannier90-2.0.1.1.tar.gz
 
+cd ..
+mkdir tarballs
+wget https://www.abinit.org/sites/default/files/packages/abinit-8.10.3.tar.gz
 tar xf abinit-8.10.3.tar.gz
 
 cd abinit-8.10.3
diff --git a/Smilei/machines/irene-amd/env b/Deepgalaxy/.gitkeep
similarity index 100%
rename from Smilei/machines/irene-amd/env
rename to Deepgalaxy/.gitkeep
diff --git a/Deepgalaxy/README.md b/Deepgalaxy/README.md
new file mode 100644
index 0000000000000000000000000000000000000000..7a032fdebebf98409a2a820c5363b4d5dd807d91
--- /dev/null
+++ b/Deepgalaxy/README.md
@@ -0,0 +1,61 @@
+Description:
+============
+
+Presentation
+------------
+
+Deepgalaxy is an AI software. It's goal is to classify image of galaxy into refernces categories. It's Open-source, use CPU or GPU and designed for high performances on super-computers.
+
+Technical information:
+----------------------
+
+* website : 
+* Scientific domain : astrophysics
+* Language : Python
+* Parallelism : MPI
+* GPU acceleration : Yes  
+* Scalability : high
+* Vectorization: 
+
+
+Compilation and simulation:
+===========================
+
+Download:
+---------
+
+Sources are available at: 
+
+To download this release, run:
+
+```
+./download.sh
+```
+
+Compile:
+--------
+
+No compilation because it's interpreted python
+
+Run and validate the simulation:
+--------------------------------
+
+For each test case, given in a separate folder (e.g. testcase_small), you can find three scripts:
+
+*  prepare.sh: prepare the simulation (move data to the right location)
+*  run.sh : run the application and print out the evaluated metric
+*  validate.sh: validation of the simulation on a scientific point of view
+
+For running and validating the simulation, one should be able to do:
+```
+cd testcase_XXX
+./prepare.sh
+./run.sh
+./validate.sh
+```
+And getting no error code returned.
+Those steps can also be used in a batch file for running the simulation using a job scheduler.
+
+
+
+
diff --git a/Deepgalaxy/machines/.gitkeep b/Deepgalaxy/machines/.gitkeep
new file mode 100644
index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391
diff --git a/Deepgalaxy/machines/jean-zay-gpu/.gitkeep b/Deepgalaxy/machines/jean-zay-gpu/.gitkeep
new file mode 100644
index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391
diff --git a/Gromacs/README.md b/Gromacs/README.md
index 311e219c166318a5ff0093df0d83750721f71740..26b7a9a2f4f7c414536dd5936a200e7463859ccd 100644
--- a/Gromacs/README.md
+++ b/Gromacs/README.md
@@ -38,6 +38,8 @@ For the test, we will use a specific release. To download this release, run:
 Compile:
 --------
 
+Gromacs needs cmake (works with 3.9.1) and python (2.7) to be compiled and depends on a version of fftw (works with fftw from mkl version 18)
+
 Information (if needed) about how to compile the application. 
 
 For instance:
@@ -48,27 +50,33 @@ source machines/occigen-bdw/env
 ./compile.sh
 ```
 
-`machines/occigen-bdw/env` contains the information for compilation (module load gcc openmpi lapack hdf5 ...)
+`machines/occigen-bdw/env` contains the information for compilation (module load intel intelmpi ...)
 
 Run and validate the simulation:
 --------------------------------
 
-For each test case, given in a separate folder (e.g. testcase_small), you can find three scripts:
+For each test case, given in a separate folder (e.g. testcase_ion_channel_small and testcase_BSG_large), you can find three scripts:
 
 *  prepare.sh: prepare the simulation (move data to the right location, recompile some minor changes, ...)
 *  run.sh : run the application and print out the evaluated metric in a file called results (first numeric column representing ns/day corresponds to the evaluated metric to take into account)
-*  validate.sh: validation of the simulation (if the evaluated metric is print out, the bench is considered validated)
+*  validate.sh: validation of the simulation for (if the evaluated metric is print out and the simulation is completed with 20 000 steps for testcase_ion_channel_small and 1 200 000 steps for testcase_BSG_large, the bench is considered validated)
 
 For running and validating the simulation, one should be able to do:
 ```
 cd testcase_XXX
-./prepare.sh
-./run.sh
-./validate.sh
+./prepare.sh compile_dir_name (ex : ./prepare.sh compile_02-07-20-09-45-52)
+./run.sh run_dir_name (ex : ./run.sh run_02-07-20-09-52-08_compile_02-07-20-09-45-52)
+./validate.sh run_dir_name (ex : ./validate.sh run_02-07-20-09-52-08_compile_02-07-20-09-45-52)
 ```
 And getting no error code returned.
 Those steps can also be used in a batch file for running the simulation using a job scheduler.
 
 
+Bench description run and assessment:
+-------------------------------------
+
+The aim of the test case called testcase_ion_channel_small is to validate the compilation and to check that gromacs can be run on the target machine. It is not part of the evaluation.
+
+The target machine will be evaluated by the case called testcase_BSG_large. This test case must be run with 560 MPI tasks and the performance of the target machine will be evaluated by the ns/day criteria.
 
 
diff --git a/Gromacs/machines/irene-amd/batch_large_BSG.slurm b/Gromacs/machines/irene-amd/batch_large_BSG.slurm
new file mode 100644
index 0000000000000000000000000000000000000000..b6b6717a7e8c261b39ad00c6d70e6601d7287456
--- /dev/null
+++ b/Gromacs/machines/irene-amd/batch_large_BSG.slurm
@@ -0,0 +1,28 @@
+#!/bin/bash
+#MSUB -J benchBSG
+#MSUB -A tgcc0090
+#MSUB -q rome
+#MSUB -m scratch
+#MSUB -T 5400
+#MSUB -N 70
+#MSUB -n 560
+#MSUB -c 16
+#MSUB -o slurm.benchBSG.o.%I
+#MSUB -e slurm.benchBSG.e.%I
+
+module purge
+module load intel/18.0.1.163 mpi/intelmpi/2018.0.1.163 cmake/3.9.1
+
+export PATH=GROMACS_HOME/bin:$PATH
+export LD_LIBRARY_PATH=GROMACS_HOME/lib64:$LD_LIBRARY_PATH
+export PKG_CONFIG_PATH=GROMACS_HOME/lib64/pkgconfig:$PKG_CONFIG_PATH
+export GMXBIN=GROMACS_HOME/bin
+export GMXLDLIB=GROMACS_HOME/lib64
+export GMXDATA=GROMACS_HOME/share/gromacs
+
+export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
+export KMP_HW_SUBSET=1T
+export KMP_AFFINITY=compact,1,0,granularity=fine
+
+ccc_mprun gmx_mpi mdrun -g -pin off -notunepme -maxh 0.9 -ntomp $SLURM_CPUS_PER_TASK -nsteps 1200000 -noconfout -s systWT250nsGr2018woEne.tpr  -deffnm benchBSG -resethway
+grep Performance slurm* > results
diff --git a/Gromacs/machines/irene-amd/batch_large_ion_channel.slurm b/Gromacs/machines/irene-amd/batch_large_ion_channel.slurm
new file mode 100644
index 0000000000000000000000000000000000000000..8201eb7b8553ff6d19d60ff0ef58617b3ac942e8
--- /dev/null
+++ b/Gromacs/machines/irene-amd/batch_large_ion_channel.slurm
@@ -0,0 +1,28 @@
+#!/bin/bash
+#MSUB -J gr_ion_channel
+#MSUB -A tgcc0090
+#MSUB -q rome
+#MSUB -m scratch
+#MSUB -T 1800
+#MSUB -N 16
+#MSUB -n 128
+#MSUB -c 16
+#MSUB -o slurm.gr_ion_channel.o.%I
+#MSUB -e slurm.gr_ion_channel.e.%I
+
+module purge
+module load intel/18.0.1.163 mpi/intelmpi/2018.0.1.163 cmake/3.9.1
+
+export PATH=GROMACS_HOME/bin:$PATH
+export LD_LIBRARY_PATH=GROMACS_HOME/lib64:$LD_LIBRARY_PATH
+export PKG_CONFIG_PATH=GROMACS_HOME/lib64/pkgconfig:$PKG_CONFIG_PATH
+export GMXBIN=GROMACS_HOME/bin
+export GMXLDLIB=GROMACS_HOME/lib64
+export GMXDATA=GROMACS_HOME/share/gromacs
+
+export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
+export KMP_HW_SUBSET=1T
+export KMP_AFFINITY=compact,1,0,granularity=fine
+
+ccc_mprun gmx_mpi mdrun -pin off -notunepme -maxh 0.5 -ntomp $SLURM_CPUS_PER_TASK -nsteps 1000000 -noconfout -s ion_channel.tpr -deffnm large_ion_channel -resethway
+grep Performance slurm* > results
diff --git a/Gromacs/machines/irene-amd/batch_small_ion_channel.slurm b/Gromacs/machines/irene-amd/batch_small_ion_channel.slurm
index 3fa338582558d0f413b0d5fb89cb73e2741eb0c4..4e7a27a6724955a71ca6d965624bb3a0bdb50459 100644
--- a/Gromacs/machines/irene-amd/batch_small_ion_channel.slurm
+++ b/Gromacs/machines/irene-amd/batch_small_ion_channel.slurm
@@ -5,10 +5,10 @@
 #MSUB -m scratch
 #MSUB -T 1800
 #MSUB -N 2
-#MSUB -n 64
-#MSUB -c 4
-#MSUB -o slurm.gr_ion_channel.o
-#MSUB -e slurm.gr_ion_channel.e
+#MSUB -n 8
+#MSUB -c 32
+#MSUB -o slurm.gr_ion_channel.o.%I
+#MSUB -e slurm.gr_ion_channel.e.%I
 
 module purge
 module load intel/18.0.1.163 mpi/intelmpi/2018.0.1.163 cmake/3.9.1
@@ -24,5 +24,5 @@ export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
 export KMP_HW_SUBSET=1T
 export KMP_AFFINITY=compact,1,0,granularity=fine
 
-ccc_mprun gmx_mpi mdrun -pin off -notunepme -maxh 0.5 -ntomp $SLURM_CPUS_PER_TASK -nsteps 20000 -noconfout -s ion_channel.tpr -resethway
+ccc_mprun gmx_mpi mdrun -pin off -notunepme -maxh 0.5 -ntomp $SLURM_CPUS_PER_TASK -nsteps 20000 -noconfout -s ion_channel.tpr -deffnm small_ion_channel -resethway
 grep Performance slurm* > results
diff --git a/Gromacs/machines/jean-zay-cpu/batch_large_BSG.slurm b/Gromacs/machines/jean-zay-cpu/batch_large_BSG.slurm
new file mode 100644
index 0000000000000000000000000000000000000000..6e0f59eb195f09bf3048a9a6235f9b1b3a9ef56f
--- /dev/null
+++ b/Gromacs/machines/jean-zay-cpu/batch_large_BSG.slurm
@@ -0,0 +1,25 @@
+#!/bin/bash
+#SBATCH -J benchBSG
+#SBATCH -t 01:30:00
+#SBATCH --hint=nomultithread
+#SBATCH -A qbg@cpu
+#SBATCH --nodes=280
+#SBATCH --ntasks=560
+#SBATCH --ntasks-per-node=2
+#SBATCH --cpus-per-task=20
+
+module purge
+module load intel-compilers/18.0.1 intel-mpi/18.0.1 intel-mkl/18.0.1
+
+export PATH=GROMACS_HOME/bin:$PATH
+export LD_LIBRARY_PATH=GROMACS_HOME/lib64:$LD_LIBRARY_PATH
+export PKG_CONFIG_PATH=GROMACS_HOME/lib64/pkgconfig:$PKG_CONFIG_PATH
+export GMXBIN=GROMACS_HOME/bin
+export GMXLDLIB=GROMACS_HOME /lib64
+export GMXDATA=GROMACS_HOME/share/gromacs
+
+export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
+export OMP_PLACES=cores
+
+srun gmx_mpi mdrun -g -pin off -notunepme -maxh 0.9 -ntomp $SLURM_CPUS_PER_TASK -nsteps 1200000 -noconfout -s systWT250nsGr2018woEne.tpr  -deffnm benchBSG -resethway
+grep Performance slurm* > results
diff --git a/Gromacs/machines/jean-zay-cpu/batch_large_ion_channel.slurm b/Gromacs/machines/jean-zay-cpu/batch_large_ion_channel.slurm
new file mode 100644
index 0000000000000000000000000000000000000000..b3f6b104197191a45c6b30246a0488f82b3c2f57
--- /dev/null
+++ b/Gromacs/machines/jean-zay-cpu/batch_large_ion_channel.slurm
@@ -0,0 +1,26 @@
+#!/bin/bash
+#SBATCH -J gr_ion_channel
+#SBATCH -t 00:30:00
+#SBATCH --hint=nomultithread
+#SBATCH -A qbg@cpu
+#SBATCH --nodes=64
+#SBATCH --ntasks=128
+#SBATCH --ntasks-per-node=2
+#SBATCH --cpus-per-task=20
+
+module purge
+module load intel-compilers/18.0.1 intel-mpi/18.0.1 intel-mkl/18.0.1
+
+export PATH=GROMACS_HOME/bin:$PATH
+export LD_LIBRARY_PATH=GROMACS_HOME/lib64:$LD_LIBRARY_PATH
+export PKG_CONFIG_PATH=GROMACS_HOME/lib64/pkgconfig:$PKG_CONFIG_PATH
+export GMXBIN=GROMACS_HOME/bin
+export GMXLDLIB=GROMACS_HOME/lib64
+export GMXDATA=GROMACS_HOME/share/gromacs
+
+export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
+export KMP_HW_SUBSET=1T
+export KMP_AFFINITY=compact,1,0,granularity=fine
+
+srun -n $SLURM_NTASKS  gmx_mpi mdrun -pin off -notunepme -maxh 0.5 -ntomp $SLURM_CPUS_PER_TASK -nsteps 1000000 -noconfout -s ion_channel.tpr -deffnm large_ion_channel -resethway
+grep Performance slurm* > results
diff --git a/Gromacs/machines/jean-zay-cpu/batch_small_ion_channel.slurm b/Gromacs/machines/jean-zay-cpu/batch_small_ion_channel.slurm
index 1618479b64ed397a44babdba6bd48a0b57767e34..36cdafd49b273f76a459fdf8608d316b5b30a398 100644
--- a/Gromacs/machines/jean-zay-cpu/batch_small_ion_channel.slurm
+++ b/Gromacs/machines/jean-zay-cpu/batch_small_ion_channel.slurm
@@ -4,10 +4,10 @@
 #SBATCH --hint=nomultithread
 #SBATCH --qos=qos_cpu-dev
 #SBATCH -A qbg@cpu
-#SBATCH --nodes=2
-#SBATCH --ntasks=20
-#SBATCH --ntasks-per-node=10
-#SBATCH --cpus-per-task=4
+#SBATCH --nodes=4
+#SBATCH --ntasks=8
+#SBATCH --ntasks-per-node=2
+#SBATCH --cpus-per-task=20
 
 module purge
 module load intel-compilers/18.0.1 intel-mpi/18.0.1 intel-mkl/18.0.1
@@ -21,8 +21,7 @@ export GMXDATA=GROMACS_HOME/share/gromacs
 
 export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
 export KMP_HW_SUBSET=1T
-export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
 export KMP_AFFINITY=compact,1,0,granularity=fine
 
-srun -n $SLURM_NTASKS  gmx_mpi mdrun -pin off -notunepme -maxh 0.5 -ntomp $SLURM_CPUS_PER_TASK -nsteps 20000 -noconfout -s ion_channel.tpr -resethway
+srun -n $SLURM_NTASKS  gmx_mpi mdrun -pin off -notunepme -maxh 0.5 -ntomp $SLURM_CPUS_PER_TASK -nsteps 20000 -noconfout -s ion_channel.tpr -deffnm small_ion_channel -resethway
 grep Performance slurm* > results
diff --git a/Gromacs/machines/jean-zay-gpu/batch_large_BSG.slurm b/Gromacs/machines/jean-zay-gpu/batch_large_BSG.slurm
new file mode 100644
index 0000000000000000000000000000000000000000..e578697a2815e45438b353cf8c92fa9b3eb33111
--- /dev/null
+++ b/Gromacs/machines/jean-zay-gpu/batch_large_BSG.slurm
@@ -0,0 +1,27 @@
+#!/bin/bash
+#SBATCH -J benchBSG
+#SBATCH -t 01:30:00
+#SBATCH --hint=nomultithread
+#SBATCH -A qbg@gpu
+#SBATCH --nodes=70
+#SBATCH --ntasks=280
+#SBATCH --ntasks-per-node=4
+#SBATCH --cpus-per-task=10
+#SBATCH --gres=gpu:4
+
+module purge
+module load intel-compilers/18.0.1 intel-mpi/18.0.1 intel-mkl/18.0.1 gcc/6.5.0 cuda/10.1.1
+
+export PATH=GROMACS_HOME/bin:$PATH
+export LD_LIBRARY_PATH=GROMACS_HOME/lib64:$LD_LIBRARY_PATH
+export PKG_CONFIG_PATH=GROMACS_HOME/lib64/pkgconfig:$PKG_CONFIG_PATH
+export GMXBIN=GROMACS_HOME/bin
+export GMXLDLIB=GROMACS_HOME /lib64
+export GMXDATA=GROMACS_HOME/share/gromacs
+
+export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
+export KMP_HW_SUBSET=1T
+export KMP_AFFINITY=compact,1,0,granularity=fine
+
+srun -n $SLURM_NTASKS  gmx_mpi mdrun -g -pin off -notunepme -maxh 0.9 -ntomp $SLURM_CPUS_PER_TASK -nsteps 1200000 -noconfout -s systWT250nsGr2018woEne.tpr  -deffnm benchBSG -resethway
+grep Performance slurm* > results
diff --git a/Gromacs/machines/jean-zay-gpu/batch_large_ion_channel.slurm b/Gromacs/machines/jean-zay-gpu/batch_large_ion_channel.slurm
new file mode 100644
index 0000000000000000000000000000000000000000..f7d99887c1341da118cf910128672422a4450aba
--- /dev/null
+++ b/Gromacs/machines/jean-zay-gpu/batch_large_ion_channel.slurm
@@ -0,0 +1,28 @@
+#!/bin/bash
+#!/bin/bash
+#SBATCH -J gr_ion_channel
+#SBATCH -t 00:30:00
+#SBATCH --hint=nomultithread
+#SBATCH -A qbg@gpu
+#SBATCH --nodes=32
+#SBATCH --ntasks=128
+#SBATCH --ntasks-per-node=4
+#SBATCH --cpus-per-task=10
+#SBATCH --gres=gpu:4
+
+module purge
+module load intel-compilers/18.0.1 intel-mpi/18.0.1 intel-mkl/18.0.1 gcc/6.5.0 cuda/10.1.1
+
+export PATH=GROMACS_HOME/bin:$PATH
+export LD_LIBRARY_PATH=GROMACS_HOME/lib64:$LD_LIBRARY_PATH
+export PKG_CONFIG_PATH=GROMACS_HOME/lib64/pkgconfig:$PKG_CONFIG_PATH
+export GMXBIN=GROMACS_HOME/bin
+export GMXLDLIB=GROMACS_HOME/lib64
+export GMXDATA=GROMACS_HOME/share/gromacs
+
+export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
+export KMP_HW_SUBSET=1T
+export KMP_AFFINITY=compact,1,0,granularity=fine
+
+srun -n $SLURM_NTASKS  gmx_mpi mdrun -pin off -notunepme -maxh 0.5 -ntomp $SLURM_CPUS_PER_TASK -nsteps 1000000 -noconfout -s ion_channel.tpr -deffnm large_ion_channel -resethway
+grep Performance slurm* > results
diff --git a/Gromacs/machines/jean-zay-gpu/batch_small_ion_channel.slurm b/Gromacs/machines/jean-zay-gpu/batch_small_ion_channel.slurm
index e5e73dab04557d23694f082e942d725d42bd7061..2cf04517e4c6f510216787a79df7b78bd56f2fce 100644
--- a/Gromacs/machines/jean-zay-gpu/batch_small_ion_channel.slurm
+++ b/Gromacs/machines/jean-zay-gpu/batch_small_ion_channel.slurm
@@ -2,13 +2,12 @@
 #SBATCH -J gr_ion_channel
 #SBATCH -t 00:30:00
 #SBATCH --hint=nomultithread
-#SBATCH --qos=qos_gpu-dev
 #SBATCH -A qbg@gpu
-#SBATCH --nodes=2
+#SBATCH --nodes=8
 #SBATCH --ntasks=8
-#SBATCH --ntasks-per-node=4
-#SBATCH --cpus-per-task=10
-#SBATCH --gres=gpu:4
+#SBATCH --ntasks-per-node=1
+#SBATCH --cpus-per-task=40
+#SBATCH --gres=gpu:1
 
 module purge
 module load intel-compilers/18.0.1 intel-mpi/18.0.1 intel-mkl/18.0.1 gcc/6.5.0 cuda/10.1.1
@@ -22,8 +21,7 @@ export GMXDATA=GROMACS_HOME/share/gromacs
 
 export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
 export KMP_HW_SUBSET=1T
-export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
 export KMP_AFFINITY=compact,1,0,granularity=fine
 
-srun -n $SLURM_NTASKS  gmx_mpi mdrun -pin off -notunepme -maxh 0.5 -ntomp $SLURM_CPUS_PER_TASK -nsteps 20000 -noconfout -s ion_channel.tpr -resethway
+srun -n $SLURM_NTASKS  gmx_mpi mdrun -pin off -notunepme -maxh 0.5 -ntomp $SLURM_CPUS_PER_TASK -nsteps 20000 -noconfout -s ion_channel.tpr -deffnm small_ion_channel -resethway
 grep Performance slurm* > results
diff --git a/Gromacs/machines/occigen-bdw/batch_large_BSG.slurm b/Gromacs/machines/occigen-bdw/batch_large_BSG.slurm
new file mode 100644
index 0000000000000000000000000000000000000000..7745b70e0fa91b32d3b5a836b705e061fe9315a4
--- /dev/null
+++ b/Gromacs/machines/occigen-bdw/batch_large_BSG.slurm
@@ -0,0 +1,26 @@
+#!/bin/bash
+#SBATCH -J benchBSG
+#SBATCH -C BDW28
+#SBATCH -t 01:30:00
+#SBATCH --nodes=280
+#SBATCH --ntasks=560
+#SBATCH --ntasks-per-node=2
+#SBATCH --cpus-per-task=14
+#SBATCH --threads-per-core=1
+
+module purge
+module load  intel/18.1 intelmpi/2018.1.163 
+
+export PATH=GROMACS_HOME/bin:$PATH
+export LD_LIBRARY_PATH=GROMACS_HOME/lib64:$LD_LIBRARY_PATH
+export PKG_CONFIG_PATH=GROMACS_HOME/lib64/pkgconfig:$PKG_CONFIG_PATH
+export GMXBIN=GROMACS_HOME/bin
+export GMXLDLIB=GROMACS_HOME /lib64
+export GMXDATA=GROMACS_HOME/share/gromacs
+
+export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
+export KMP_HW_SUBSET=1T
+export KMP_AFFINITY=compact,1,0,granularity=fine
+
+srun -n $SLURM_NTASKS  gmx_mpi mdrun -g -pin off -notunepme -maxh 0.9 -ntomp $SLURM_CPUS_PER_TASK -nsteps 1200000 -noconfout -s systWT250nsGr2018woEne.tpr  -deffnm benchBSG -resethway
+grep Performance slurm* > results
diff --git a/Gromacs/machines/occigen-bdw/batch_large_ion_channel.slurm b/Gromacs/machines/occigen-bdw/batch_large_ion_channel.slurm
new file mode 100644
index 0000000000000000000000000000000000000000..00cfc09aeea1ced760faa65db1c9ba5e16f02900
--- /dev/null
+++ b/Gromacs/machines/occigen-bdw/batch_large_ion_channel.slurm
@@ -0,0 +1,26 @@
+#!/bin/bash
+#SBATCH -J ion_channel
+#SBATCH -C BDW28
+#SBATCH -t 00:30:00
+#SBATCH --nodes=64
+#SBATCH --ntasks=128
+#SBATCH --ntasks-per-node=2
+#SBATCH --cpus-per-task=14
+#SBATCH --threads-per-core=1
+
+module purge
+module load  intel/18.1 intelmpi/2018.1.163 
+
+export PATH=GROMACS_HOME/bin:$PATH
+export LD_LIBRARY_PATH=GROMACS_HOME/lib64:$LD_LIBRARY_PATH
+export PKG_CONFIG_PATH=GROMACS_HOME/lib64/pkgconfig:$PKG_CONFIG_PATH
+export GMXBIN=GROMACS_HOME/bin
+export GMXLDLIB=GROMACS_HOME/lib64
+export GMXDATA=GROMACS_HOME/share/gromacs
+
+export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
+export KMP_HW_SUBSET=1T
+export KMP_AFFINITY=compact,1,0,granularity=fine
+
+srun -n $SLURM_NTASKS  gmx_mpi mdrun -pin off -notunepme -maxh 0.5 -ntomp $SLURM_CPUS_PER_TASK -nsteps 1000000 -noconfout -s ion_channel.tpr -deffnm large_ion_channel -resethway
+grep Performance slurm* > results
diff --git a/Gromacs/machines/occigen-bdw/batch_small_ion_channel.slurm b/Gromacs/machines/occigen-bdw/batch_small_ion_channel.slurm
index f89d393f0fd7d77d5f31d4853d57e37de2ef24d1..7c9a79316f577e5a3a3bda36ec73a0a0d501bee4 100644
--- a/Gromacs/machines/occigen-bdw/batch_small_ion_channel.slurm
+++ b/Gromacs/machines/occigen-bdw/batch_small_ion_channel.slurm
@@ -2,10 +2,10 @@
 #SBATCH -J ion_channel
 #SBATCH -C BDW28
 #SBATCH -t 00:30:00
-#SBATCH --nodes=2
+#SBATCH --nodes=8
 #SBATCH --ntasks=8
-#SBATCH --ntasks-per-node=4
-#SBATCH --cpus-per-task=7
+#SBATCH --ntasks-per-node=1
+#SBATCH --cpus-per-task=28
 #SBATCH --threads-per-core=1
 
 module purge
@@ -20,8 +20,7 @@ export GMXDATA=GROMACS_HOME/share/gromacs
 
 export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
 export KMP_HW_SUBSET=1T
-export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
 export KMP_AFFINITY=compact,1,0,granularity=fine
 
-srun -n $SLURM_NTASKS  gmx_mpi mdrun -pin off -notunepme -maxh 0.5 -ntomp $SLURM_CPUS_PER_TASK -nsteps 20000 -noconfout -s ion_channel.tpr -resethway
+srun -n $SLURM_NTASKS  gmx_mpi mdrun -pin off -notunepme -maxh 0.5 -ntomp $SLURM_CPUS_PER_TASK -nsteps 20000 -noconfout -s ion_channel.tpr -deffnm small_ion_channel -resethway
 grep Performance slurm* > results
diff --git a/Gromacs/testcase_BSG_large/prepare.sh b/Gromacs/testcase_BSG_large/prepare.sh
new file mode 100755
index 0000000000000000000000000000000000000000..95e561412a46bea9e51998ca1f39b73bbf04afb7
--- /dev/null
+++ b/Gromacs/testcase_BSG_large/prepare.sh
@@ -0,0 +1,19 @@
+#!/bin/bash
+compile_gromacs_dir_name=$1
+
+if [ -z "$compile_gromacs_dir_name" ]
+then
+echo "compile_gromacs_dir_name missing"
+echo "example : ./prepare.sh compile_01-13-20-16-20-05"
+exit 1
+fi
+
+run_date=`date +"%m-%d-%y-%H-%M-%S"`
+run_dir=run_${run_date}_${compile_gromacs_dir_name}
+mkdir $run_dir
+cd $run_dir
+cp ../systWT250nsGr2018woEne.tpr .
+cp ../../machines/${GROMACS_MACHINE}/batch_large_BSG.slurm batch_large_BSG.slurm.tmp.tmp
+awk '$1=$1' FS="GROMACS_HOME" OFS="../../${compile_gromacs_dir_name}/gromacs/2019.4" batch_large_BSG.slurm.tmp.tmp > batch_large_BSG.slurm.tmp
+awk '$1=$1' FS="GROMACS_HOME" OFS="../../${compile_gromacs_dir_name}/gromacs/2019.4"  batch_large_BSG.slurm.tmp >  batch_large_BSG.slurm
+rm -f  batch_large_BSG.slurm.tmp.tmp batch_large_BSG.slurm.tmp
diff --git a/Gromacs/testcase_BSG_large/run.sh b/Gromacs/testcase_BSG_large/run.sh
new file mode 100755
index 0000000000000000000000000000000000000000..b85b9a54daa1636e8cd962400b3eb57269b061c7
--- /dev/null
+++ b/Gromacs/testcase_BSG_large/run.sh
@@ -0,0 +1,12 @@
+#!/bin/bash
+run_gromacs_dir_name=$1
+
+if [ -z "$run_gromacs_dir_name" ]
+then
+echo "run_gromacs_dir_name missing"
+echo "example : ./run.sh run_01-13-20-17-10-24_compile_01-13-20-16-20-05"
+exit 1
+fi
+
+cd $run_gromacs_dir_name
+${GROMACS_LAUNCH_SCRIPT_COMMAND} batch_large_BSG.slurm
diff --git a/Gromacs/testcase_BSG_large/systWT250nsGr2018woEne.tpr b/Gromacs/testcase_BSG_large/systWT250nsGr2018woEne.tpr
new file mode 100644
index 0000000000000000000000000000000000000000..0173e0a0e1a5d42d3fd988a42023b5fc60910838
Binary files /dev/null and b/Gromacs/testcase_BSG_large/systWT250nsGr2018woEne.tpr differ
diff --git a/Gromacs/testcase_BSG_large/validate.sh b/Gromacs/testcase_BSG_large/validate.sh
new file mode 100755
index 0000000000000000000000000000000000000000..b822ad73eeb5000272a5700a90cf66b4eb5bbbf2
--- /dev/null
+++ b/Gromacs/testcase_BSG_large/validate.sh
@@ -0,0 +1,22 @@
+#!/bin/bash
+run_gromacs_dir_name=$1
+
+if [ -z "$run_gromacs_dir_name" ]
+then
+echo "run_gromacs_dir_name missing"
+echo "example : ./validate.sh run_01-13-20-17-10-24_compile_01-13-20-16-20-05"
+exit 1
+fi
+
+cd $run_gromacs_dir_name
+perf=`grep Performance: results | awk '{ print $2 }'`
+end_sim=`grep "Statistics over 1200001 steps using 12001 frames" benchBSG.log`
+
+if [ -z "$perf" ] || [ -z "$end_sim" ]
+then
+    echo "bench is not validated"
+else
+    echo bench is validated
+    echo end = $end_sim
+    echo perf = $perf ns/day
+fi
diff --git a/Gromacs/testcase_ion_channel_large/ion_channel.tpr b/Gromacs/testcase_ion_channel_large/ion_channel.tpr
new file mode 100644
index 0000000000000000000000000000000000000000..abcd87e04f2bfbe4e2db67ff0d2e517892b9169c
Binary files /dev/null and b/Gromacs/testcase_ion_channel_large/ion_channel.tpr differ
diff --git a/Gromacs/testcase_ion_channel_large/prepare.sh b/Gromacs/testcase_ion_channel_large/prepare.sh
new file mode 100755
index 0000000000000000000000000000000000000000..27e3bd714093c6bc4a7831249f91bc00a9ca1c12
--- /dev/null
+++ b/Gromacs/testcase_ion_channel_large/prepare.sh
@@ -0,0 +1,19 @@
+#!/bin/bash
+compile_gromacs_dir_name=$1
+
+if [ -z "$compile_gromacs_dir_name" ]
+then
+echo "compile_gromacs_dir_name missing"
+echo "example : ./prepare.sh compile_01-13-20-16-20-05"
+exit 1
+fi
+
+run_date=`date +"%m-%d-%y-%H-%M-%S"`
+run_dir=run_${run_date}_${compile_gromacs_dir_name}
+mkdir $run_dir
+cd $run_dir
+cp ../ion_channel.tpr .
+cp ../../machines/${GROMACS_MACHINE}/batch_large_ion_channel.slurm batch_large_ion_channel.slurm.tmp.tmp
+awk '$1=$1' FS="GROMACS_HOME" OFS="../../${compile_gromacs_dir_name}/gromacs/2019.4" batch_large_ion_channel.slurm.tmp.tmp > batch_large_ion_channel.slurm.tmp
+awk '$1=$1' FS="GROMACS_HOME" OFS="../../${compile_gromacs_dir_name}/gromacs/2019.4"  batch_large_ion_channel.slurm.tmp >  batch_large_ion_channel.slurm
+rm -f  batch_large_ion_channel.slurm.tmp.tmp batch_large_ion_channel.slurm.tmp
diff --git a/Gromacs/testcase_ion_channel_large/run.sh b/Gromacs/testcase_ion_channel_large/run.sh
new file mode 100755
index 0000000000000000000000000000000000000000..69292702b622a5c38445abe28e4b0b86fdd169a8
--- /dev/null
+++ b/Gromacs/testcase_ion_channel_large/run.sh
@@ -0,0 +1,12 @@
+#!/bin/bash
+run_gromacs_dir_name=$1
+
+if [ -z "$run_gromacs_dir_name" ]
+then
+echo "run_gromacs_dir_name missing"
+echo "example : ./run.sh run_01-13-20-17-10-24_compile_01-13-20-16-20-05"
+exit 1
+fi
+
+cd $run_gromacs_dir_name
+${GROMACS_LAUNCH_SCRIPT_COMMAND} batch_large_ion_channel.slurm
diff --git a/Gromacs/testcase_ion_channel_large/validate.sh b/Gromacs/testcase_ion_channel_large/validate.sh
new file mode 100755
index 0000000000000000000000000000000000000000..1717cb965c314bd193bb7d432b65e5e66c13bb69
--- /dev/null
+++ b/Gromacs/testcase_ion_channel_large/validate.sh
@@ -0,0 +1,22 @@
+#!/bin/bash
+run_gromacs_dir_name=$1
+
+if [ -z "$run_gromacs_dir_name" ]
+then
+echo "run_gromacs_dir_name missing"
+echo "example : ./validate.sh run_01-13-20-17-10-24_compile_01-13-20-16-20-05"
+exit 1
+fi
+
+cd $run_gromacs_dir_name
+perf=`grep Performance results | awk '{ print $2 }'`
+end_sim=`grep "Statistics over 1000001 steps using 100001 frames" large_ion_channel.log`
+
+if [ -z "$perf" ] || [ -z "$end_sim" ]
+then
+    echo "bench is not validated"
+else
+    echo bench is validated
+    echo end = $end_sim
+    echo perf = $perf ns/day
+fi
diff --git a/Gromacs/testcase_ion_channel_small/batch_small_ion_channel_occgen.aps.slurm b/Gromacs/testcase_ion_channel_small/batch_small_ion_channel_occgen.aps.slurm
index cb6a4034e9f258b20200f5ba31db7f113d65da32..21f5ab13109bd43f1d092c7055c174bfae3c4403 100644
--- a/Gromacs/testcase_ion_channel_small/batch_small_ion_channel_occgen.aps.slurm
+++ b/Gromacs/testcase_ion_channel_small/batch_small_ion_channel_occgen.aps.slurm
@@ -24,4 +24,4 @@ export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
 export KMP_HW_SUBSET=1T
 export KMP_AFFINITY=compact,1,0,granularity=fine
 
-srun -n $SLURM_NTASKS aps  gmx_mpi mdrun -pin off -notunepme -maxh 0.5 -ntomp $SLURM_CPUS_PER_TASK -nsteps 20000 -noconfout -s ion_channel.tpr -resethway
+srun -n $SLURM_NTASKS aps  gmx_mpi mdrun -pin off -notunepme -maxh 0.5 -ntomp $SLURM_CPUS_PER_TASK -nsteps 20000 -noconfout -s ion_channel.tpr -deffnm small_ion_channel -resethway
diff --git a/Gromacs/testcase_ion_channel_small/validate.sh b/Gromacs/testcase_ion_channel_small/validate.sh
index 89e5a8aa98193fac5f588cd43a732c20e840b91a..b6cb451214423011bcf389e91a44d44c9034d9eb 100755
--- a/Gromacs/testcase_ion_channel_small/validate.sh
+++ b/Gromacs/testcase_ion_channel_small/validate.sh
@@ -10,11 +10,13 @@ fi
 
 cd $run_gromacs_dir_name
 perf=`grep Performance results | awk '{ print $2 }'`
+end_sim=`grep "Statistics over 20001 steps using 2001 frames" small_ion_channel.log`
 
-if [ -z "$perf" ]
+if [ -z "$perf" ] || [ -z "$end_sim" ]
 then
     echo "bench is not validated"
 else
     echo bench is validated
+    echo end = $end_sim
     echo perf = $perf ns/day
 fi
diff --git a/Smilei/machines/irene-amd/batch_large.slurm b/Smilei/machines/irene-amd/batch_large.slurm
new file mode 100644
index 0000000000000000000000000000000000000000..2698b7c45707d497ba8c0c5032c907ff1aaa8998
--- /dev/null
+++ b/Smilei/machines/irene-amd/batch_large.slurm
@@ -0,0 +1,25 @@
+#!/bin/bash
+#MSUB -r tst_large      # job name
+#MSUB -N 200            # number of nodes to use
+#MSUB -n 800            # number of tasks
+#MSUB -c 16             # number of threads per task to use
+#MSUB -T 7200           # max walltime in seconds. default=7200
+#MSUB -m scratch        # file system
+#MSUB -e error_%I.e     # error output
+#MSUB -o output_%I.o
+#MSUB -A tgcc0090       # project
+#MSUB -q rome           #partition of machine
+
+## Set the working dir to the dir in which the submission was called.
+
+source env_amd
+
+export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
+export KMP_AFFINITY=granularity=fine,compact,1,0,verbose
+
+mkdir -p large_output
+cd large_output
+
+#ccc_mprun --mpi=pmi2 -K1 -m block:block -c $SLURM_CPUS_PER_TASK --resv-ports -n $SLURM_NTASKS $EXE ../test.py
+ccc_mprun $EXE ../test.py
+
diff --git a/Smilei/machines/irene-amd/batch_small.slurm b/Smilei/machines/irene-amd/batch_small.slurm
index e69de29bb2d1d6434b8b29ae775ad8c2e48c5391..06d6b09379c68d596c7d9a9129955b6ea6459d25 100644
--- a/Smilei/machines/irene-amd/batch_small.slurm
+++ b/Smilei/machines/irene-amd/batch_small.slurm
@@ -0,0 +1,26 @@
+#!/bin/bash
+#MSUB -r tst_small      # job name
+#MSUB -N 50             # number of nodes to use
+#MSUB -n 200            # number of tasks
+#MSUB -c 16             # number of threads per task to use
+#MSUB -T 10800          # max walltime in seconds. default=7200
+#MSUB -m scratch        # file system
+#MSUB -e error_%I.e     # error output
+#MSUB -o output_%I.o
+#MSUB -A tgcc0090       # project
+#MSUB -q rome           #partition of machine
+
+## Set the working dir to the dir in which the submission was called.
+
+source env_amd
+
+export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
+export KMP_AFFINITY=granularity=fine,compact,1,0,verbose
+
+mkdir -p small_output
+cd small_output
+
+#ccc_mprun --mpi=pmi2 -K1 -m block:block -c $SLURM_CPUS_PER_TASK --resv-ports -n $SLURM_NTASKS $EXE ../test.py
+ccc_mprun $EXE ../test.py
+
+
diff --git a/Smilei/machines/irene-amd/env_bench b/Smilei/machines/irene-amd/env_bench
new file mode 100644
index 0000000000000000000000000000000000000000..b73ff2e65c934f4cc5c855a545b714f6e6ad53cb
--- /dev/null
+++ b/Smilei/machines/irene-amd/env_bench
@@ -0,0 +1,19 @@
+#machine file for Irene Joliot-Curie using AMD-ROME
+# __________________________________________________________
+#
+# Load the correct modules:
+#
+module purge
+module load intel/19.0.5.281
+module load mpi/intelmpi/2019.0.5.281
+module load flavor/hdf5/parallel
+module load hdf5/1.8.20
+module load python3/3.7.2
+
+export CXXFLAGS+="-xHOST -axAVX -O3 -ip -inline-factor=1000 -qopt-zmm-usage=high "
+
+GIT_ROOT=`git rev-parse --show-toplevel`
+SMILEI_DIR=$GIT_ROOT/Smilei/
+EXE=$SMILEI_DIR/Smilei/smilei
+
+