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Commit f150a601 authored by midou's avatar midou
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Merge branch 'develop' of https://dci-gitlab.cines.fr/dci/abs into develop

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#!/bin/bash
#MSUB -n 128 # Number of MPI processes
#MSUB -c 16 # Number of threads
#MSUB -T 19000 # Time requested in seconds
#MSUB -r abinit_test_ti255 # Name of the job
#MSUB -m work,scratch
#MSUB -q rome # Partition
#MSUB -A tgcc0090 # Project id
# M S U B -Q test # TEST QoS
module purge
module load datadir/own
module load datadir/cines
module load dfldatadir/own
module load flavor/buildmpi/openmpi/4.0
module load flavor/openmpi/standard
module load flavor/buildcompiler/intel/19
module load feature/mkl/lp64
module load feature/mkl/sequential
module load mkl/19.0.5.281
module load licsrv/intel
module load c/intel/19.0.5.281
module load c++/intel/19.0.5.281
module load fortran/intel/19.0.5.281
module load intel/19.0.5.281
module load feature/openmpi/net/auto
module load hwloc/2.0.4
module load sharp/2.0
module load hcoll/4.4.2938
module load ucx/1.7.0
module load mpi/openmpi/4.0.2
# set max 2GB stack
ulimit -s 2000000
#export KMP_DETERMINISTIC_REDUCTION=1
# IRENE SKYLAKE OMP_NUM_THREADS=12 Proc. 0 individual time (sec): cpu= 28702.0 wall= 3602.4
# OCCIGEN OMP_NUM_THREADS=1 - Proc. 0 individual time (sec): cpu= 18945.1 wall= 18962.5
# OCCIGEN OMP_NUM_THREADS=2 - Proc. 0 individual time (sec): cpu= 36255.7 wall= 18135.0
# IRENE OMP_NUM_THREADS=1 - Proc. 0 individual time (sec): cpu= 17933.7 wall= 17980.9
# IRENE OMP_NUM_THREADS=11 Proc. 0 individual time (sec): cpu= 59060.5 wall= 5376.3
# IRENE OMP_NUM_THREADS=12 Proc. 0 individual time (sec): cpu= 61102.7 wall= 5096.8
export OMP_STACKSIZE=200M
export KMP_LIBRARY=turnaround
export KMP_BLOCKTIME=infinite
#export KMP_AFFINITY=verbose,granularity=fine,compact,1,0
export KMP_AFFINITY=disabled
export OMP_NUM_THREADS=12
export MKL_NUM_THREADS=12
export PATH=$CCCSCRATCHDIR/AO2020/ABINIT/bin:$PATH
export LD_LIBRARY_PATH=$CCCSCRATCHDIR/AO2020/ABINIT/lib:$LD_LIBRARY_PATH
export MKL_DEBUG_CPU_TYPE=5
#export MKL_CBWR=AVX2
export OMP_NESTED=TRUE
export MKL_DYNAMIC=FALSE
export OMP_DYNAMIC=FALSE
ccc_mprun abinit -i abinit_test_ti255.files > abinit_test_ti255.log 2>&1
# top - 17:04:29 up 1 day, 21:26, 1 user, load average: 8.00, 8.01, 8.05
# Tasks: 2523 total, 9 running, 2514 sleeping, 0 stopped, 0 zombie
# %Cpu(s): 3.2 us, 0.1 sy, 0.0 ni, 96.7 id, 0.0 wa, 0.0 hi, 0.0 si, 0.0 st
# KiB Mem : 26324713+total, 23950019+free, 20492052 used, 3254892 buff/cache
# KiB Swap: 0 total, 0 free, 0 used. 23936841+avail Mem
# PID USER PR NI VIRT RES SHR S %CPU %MEM TIME+ P COMMAND
# 171622 ciroube 20 0 6489408 1.5g 64312 R 94.7 0.6 129:48.17 0 abinit
# 171623 ciroube 20 0 6555448 1.5g 65416 R 94.7 0.6 129:48.28 16 abinit
# 171624 ciroube 20 0 6507224 1.6g 63840 R 94.7 0.6 129:48.18 32 abinit
# 171625 ciroube 20 0 6468896 1.5g 63660 R 94.7 0.6 129:48.29 48 abinit
# 171626 ciroube 20 0 6524128 1.5g 63688 R 94.7 0.6 129:47.53 64 abinit
# 171627 ciroube 20 0 6468332 1.5g 64804 R 94.7 0.6 129:47.01 80 abinit
# 171628 ciroube 20 0 6470816 1.5g 61000 R 94.7 0.6 129:47.28 96 abinit
# 171629 ciroube 20 0 6384584 1.5g 59800 R 94.7 0.6 129:51.65 112 abinit
# 179634 ciroube 20 0 174836 4704 1568 R 21.1 0.0 0:00.07 70 top
# Mem[|||||||||||||* 21.5G/251G] Tasks: 52, 36 thr; 9 running
# Swp[ 0K/0K] Load average: 8.04 8.03 8.05
# Avg[#####* 3.6%] Uptime: 1 day, 21:49:39
# Loa[|||||||||||| 8.04]
# Loa[||||||||||||############************ 8.04/8.03/8.05]
# PID USER PRI NI VIRT RES SHR S CPU% MEM% TIME+ Command
# 171623 ciroube 20 0 6658M 1812M 67328 R 114. 0.7 2h32:36 /ccc/scratch/cont003/cines/ciroube/AO2020/ABINIT/bin/abinit -i abinit_test_ti255.files
# 171625 ciroube 20 0 6574M 1809M 65524 R 114. 0.7 2h32:37 /ccc/scratch/cont003/cines/ciroube/AO2020/ABINIT/bin/abinit -i abinit_test_ti255.files
# 171627 ciroube 20 0 6573M 1819M 66672 R 114. 0.7 2h32:35 /ccc/scratch/cont003/cines/ciroube/AO2020/ABINIT/bin/abinit -i abinit_test_ti255.files
# 171629 ciroube 20 0 6491M 1808M 61840 R 114. 0.7 2h32:40 /ccc/scratch/cont003/cines/ciroube/AO2020/ABINIT/bin/abinit -i abinit_test_ti255.files
# 171622 ciroube 20 0 6594M 1810M 65920 R 85.5 0.7 2h32:36 /ccc/scratch/cont003/cines/ciroube/AO2020/ABINIT/bin/abinit -i abinit_test_ti255.files
# 171624 ciroube 20 0 6613M 1846M 65376 R 85.5 0.7 2h32:36 /ccc/scratch/cont003/cines/ciroube/AO2020/ABINIT/bin/abinit -i abinit_test_ti255.files
# 171626 ciroube 20 0 6628M 1828M 65252 R 85.5 0.7 2h32:36 /ccc/scratch/cont003/cines/ciroube/AO2020/ABINIT/bin/abinit -i abinit_test_ti255.files
# 171628 ciroube 20 0 6574M 1829M 62536 R 85.5 0.7 2h32:35 /ccc/scratch/cont003/cines/ciroube/AO2020/ABINIT/bin/abinit -i abinit_test_ti255.files
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#!/bin/bash
#SBATCH -J abinit_test_ti255
#SBATCH --nodes=43
#SBATCH --ntasks=128
#SBATCH --cpus-per-task=12
#SBATCH --time=02:00:00
#SBATCH --hint=nomultithread
#SBATCH --qos=qos_cpu-dev
#SBATCH -A qbg@cpu
cd $SLURM_SUBMIT_DIR
module purge
module load abinit/8.10.3-mpi
#module load intel-compilers/19.0.5
#module load intel-mkl/19.0.5
#module load intel-mpi/19.0.5
#export PATH=/gpfslocalsup/spack_soft/abinit/8.10.3/intel-18.0.5-iodjoowmaestj5t7u72wvzvmxuaxrtym/bin:$PATH
#export LD_LIBRARY_PATH=/gpfslocalsup/spack_soft/fftw/3.3.8/intel-19.0.5-uitqxse2pwj6xndjihgo54lmo5zpv7wy/lib:/gpfslocalsup/spack_soft/netcdf-fortran/4.4.5/intel-19.0.4-nm7vlsr6edc7yqkb2v7l4p6mu4dcgkoy/lib:/gpfslocalsup/spack_soft/hdf5/1.10.5/intel-19.0.5-v4d6fdbpytf2in7bzykz6hbv4domjs7b/lib:/gpfslocalsup/spack_soft/libxc/3.0.1/intel-19.0.5-2wxuz66qzbvv2xl4ztjzloxtmb5nkgo3/lib:$LD_LIBRARY_PATH
# set max 1GB stack
ulimit -s 1000000
#export KMP_DETERMINISTIC_REDUCTION=1
export OMP_STACKSIZE=1000M
export KMP_LIBRARY=turnaround
export KMP_BLOCKTIME=infinite
export KMP_AFFINITY=granularity=fine,compact,1,0
export OMP_NUM_THREADS=12
#export MKL_NUM_THREADS=12
#export MKL_DEBUG_CPU_TYPE=5
#export MKL_CBWR=AVX2
export OMP_NESTED=TRUE
export MKL_DYNAMIC=TRUE
export OMP_DYNAMIC=FALSE
srun abinit -i abinit_test_ti255.files > abinit_test_ti255.log 2>&1
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#!/bin/bash
#SBATCH -N 64
#SBATCH -n 128 # Number of MPI processes
#SBATCH -c 14 # Number of threads
#SBATCH -t 2:0:0
#SBATCH -J abinit_test_ti255
#SBATCH -C BDW28
#SBATCH --cpu-freq=2600000 # fixed CPU frequency at 2.6GHz
cd $SLURM_SUBMIT_DIR
module purge
module load intel/19.4 intelmpi/2019.4.243
unset I_MPI_DAPL_DIRECT_COPY_THRESHOLD
export MLX5_SINGLE_THREADED=0
export MLX4_SINGLE_THREADED=0
#module load openmpi/intel
#export PATH=$SCRATCHDIR/AO2020/OPENMPI/bin:$PATH
#export LD_LIBRARY_PATH=$SCRATCHDIR/AO2020/OPENMPI/lib:$LD_LIBRARY_PATH
#export LIBRARY_PATH=$SCRATCHDIR/AO2020/OPENMPI/lib:$LIBRARY_PATH
#export CPATH=$SCRATCHDIR/AO2020/OPENMPI/include:$CPATH
# set max 2GB stack
ulimit -s 2000000
export OMP_STACKSIZE=500M
#export KMP_DETERMINISTIC_REDUCTION=1
# OCCIGEN OMP_NUM_THREADS=1 - Proc. 0 individual time (sec): cpu= 18945.1 wall= 18962.5
# OCCIGEN OMP_NUM_THREADS=2 - Proc. 0 individual time (sec): cpu= 36255.7 wall= 18135.0
# OCCIGEN OMP_NUM_THREADS=12 Proc. 0 individual time (sec): cpu= 40857.9 wall= 3407.8
export KMP_LIBRARY=turnaround
export KMP_BLOCKTIME=infinite
export KMP_AFFINITY=verbose,granularity=fine,compact,1,0
export OMP_NUM_THREADS=12
export MKL_NUM_THREADS=12
export PATH=/scratch/cnusc/dci/cirou/AO2020/ABINIT/bin:$PATH
export LD_LIBRARY_PATH=/scratch/cnusc/dci/cirou/AO2020/ABINIT/lib:$LD_LIBRARY_PATH
source /opt/software/common/intel/vtune_amplifier_2019/apsvars.sh
srun --cpu-freq=2600000 aps abinit -i abinit_test_ti255.files > abinit_test_ti255.log.$SLURM_JOBID 2>&1
#aps --report=aps_result_*
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#!/bin/bash
#SBATCH -N 2
#SBATCH -n 8 # Number of MPI processes
#SBATCH -c 7 # Number of threads
#SBATCH -t 2:0:0
#SBATCH -J abinit_test_au31
#SBATCH -C BDW28
#SBATCH --cpu-freq=2600000 # fixed CPU frequency at 2.6GHz
cd $SLURM_SUBMIT_DIR
module purge
module load intel/19.4 intelmpi/2019.4.243
unset I_MPI_DAPL_DIRECT_COPY_THRESHOLD
#module load openmpi/intel
#export PATH=$SCRATCHDIR/AO2020/OPENMPI/bin:$PATH
#export LD_LIBRARY_PATH=$SCRATCHDIR/AO2020/OPENMPI/lib:$LD_LIBRARY_PATH
#export LIBRARY_PATH=$SCRATCHDIR/AO2020/OPENMPI/lib:$LIBRARY_PATH
#export CPATH=$SCRATCHDIR/AO2020/OPENMPI/include:$CPATH
# set max 2GB stack
ulimit -s 2000000
srun -l cat /proc/sys/kernel/perf_event_paranoid
#export KMP_DETERMINISTIC_REDUCTION=1
# OMP_NUM_THREADS=1 Openmpi4 Proc. 0 individual time (sec): cpu= 43.6 wall= 47.9
# OMP_NUM_THREADS=2 Openmpi4 Proc. 0 individual time (sec): cpu= 75.1 wall= 37.8
# OMP_NUM_THREADS=3 Openmpi4 Proc. 0 individual time (sec): cpu= 101.9 wall= 34.1
# OMP_NUM_THREADS=4 Openmpi4 Proc. 0 individual time (sec): cpu= 130.1 wall= 32.6
# OMP_NUM_THREADS=4 intelmpi2019 Proc. 0 individual time (sec): cpu= 67.4 wall= 17.7
export MLX5_SINGLE_THREADED=0
export KMP_LIBRARY=turnaround
export KMP_BLOCKTIME=infinite
export KMP_AFFINITY=granularity=fine,compact,1,0
export OMP_NUM_THREADS=4
export MKL_NUM_THREADS=4
export PATH=/scratch/cnusc/dci/cirou/AO2020/ABINIT/bin:$PATH
export LD_LIBRARY_PATH=/scratch/cnusc/dci/cirou/AO2020/ABINIT/lib:$LD_LIBRARY_PATH
#source /opt/software/common/intel/vtune_amplifier_2019/apsvars.sh
#srun --cpu-freq=2600000 aps abinit -i abinit_test_au31.files > abinit_test_au31.log.$SLURM_JOBID 2>&1
srun --cpu-freq=2600000 abinit -i abinit_test_au31.files > abinit_test_au31.log.$SLURM_JOBID 2>&1
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abinit_test_au31.in
abinit_test_au31.out
TMP/abinit_test_au31_i
TMP/abinit_test_au31_o
TMP/abinit_test_au31_t
../ATOMIC_DATA/au.hpc.paw
\ No newline at end of file
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# ================================================== #
# ABINIT - INPUT FILE - GOLD 31 ATOMS (one vacancy) #
# Small test to be run on 8 MPI x 4 openMP threads #
# #
# MT 01/2020 #
# ================================================== #
#Process distribution (parallelism)
npband 8 bandpp 16 npfft 1 npkpt 1 # 8 MPI x 4 threads
#Self-consistent cycle parameters
wfoptalg 114 ! This is the default
toldfe 1.d-10
nstep 20
#Plane wave basis
ecut 5.
pawecutdg 8.
#K-points and symetries
nkpt 1
kpt 3*0.
kptopt 0
istwfk *1
nsym 0
chksymbreak 0
#Electronic configuration
nband 256
occopt 3
tsmear 0.001 hartree
#Activation/deactivation of I/O
optforces 2
optstress 1
prtwf 0
prtden 0
prteig 0
timopt 0
#Simulation cell
acell 3*15.34
rprim 1. 0. 0. 0. 1. 0. 0. 0. 1.
natom 31
ntypat 1
typat 31*1
znucl 79.
chkprim 0
#Atomic positions
xred
2.50000000000000e-01 2.50000000000000e-01 0.00000000000000e+00
2.50000000000000e-01 0.00000000000000e+00 2.50000000000000e-01
0.00000000000000e+00 2.50000000000000e-01 2.50000000000000e-01
0.00000000000000e+00 0.00000000000000e+00 5.00000000000000e-01
2.50000000000000e-01 2.50000000000000e-01 5.00000000000000e-01
2.50000000000000e-01 0.00000000000000e+00 7.50000000000000e-01
0.00000000000000e+00 2.50000000000000e-01 7.50000000000000e-01
0.00000000000000e+00 5.00000000000000e-01 0.00000000000000e+00
2.50000000000000e-01 7.50000000000000e-01 0.00000000000000e+00
2.50000000000000e-01 5.00000000000000e-01 2.50000000000000e-01
0.00000000000000e+00 7.50000000000000e-01 2.50000000000000e-01
0.00000000000000e+00 5.00000000000000e-01 5.00000000000000e-01
2.50000000000000e-01 7.50000000000000e-01 5.00000000000000e-01
2.50000000000000e-01 5.00000000000000e-01 7.50000000000000e-01
0.00000000000000e+00 7.50000000000000e-01 7.50000000000000e-01
5.00000000000000e-01 0.00000000000000e+00 0.00000000000000e+00
7.50000000000000e-01 2.50000000000000e-01 0.00000000000000e+00
7.50000000000000e-01 0.00000000000000e+00 2.50000000000000e-01
5.00000000000000e-01 2.50000000000000e-01 2.50000000000000e-01
5.00000000000000e-01 0.00000000000000e+00 5.00000000000000e-01
7.50000000000000e-01 2.50000000000000e-01 5.00000000000000e-01
7.50000000000000e-01 0.00000000000000e+00 7.50000000000000e-01
5.00000000000000e-01 2.50000000000000e-01 7.50000000000000e-01
5.00000000000000e-01 5.00000000000000e-01 0.00000000000000e+00
7.50000000000000e-01 7.50000000000000e-01 0.00000000000000e+00
7.50000000000000e-01 5.00000000000000e-01 2.50000000000000e-01
5.00000000000000e-01 7.50000000000000e-01 2.50000000000000e-01
5.00000000000000e-01 5.00000000000000e-01 5.00000000000000e-01
7.50000000000000e-01 7.50000000000000e-01 5.00000000000000e-01
7.50000000000000e-01 5.00000000000000e-01 7.50000000000000e-01
5.00000000000000e-01 7.50000000000000e-01 7.50000000000000e-01
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abinit_test_ti255.in
abinit_test_ti255.out
TMP/abinit_test_ti255_i
TMP/abinit_test_ti255_o
TMP/abinit_test_ti255_t
../ATOMIC_DATA/ti.hpc.paw
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# ======================================================== #
# ABINIT - INPUT FILE - TITANIUM 255 ATOMS #
# LOBPCG algorithm #
# #
# HOWTO: #
# - select one of the datasets (change 'jdtset' below) #
# - run ABINIT with the corresponding MPI/openMP distrib. #
# #
# MT 01/2020 #
# ======================================================== #
#Processes/threads distribution (parallelism)
# ===> SELECT one of the following datasets
ndtset 1 jdtset 2
#npband1 256 bandpp1 12 npfft1 1 npkpt1 1 # 256 MPI x 12 thread(s)
npband2 128 bandpp2 12 npfft2 1 npkpt2 1 # 128 MPI x 12 thread(s)
#npband3 256 bandpp3 12 npfft3 1 npkpt3 1 # 256 MPI x 6 thread(s)
#npband4 512 bandpp4 12 npfft4 8 npkpt4 1 # 512 MPI x 3 thread(s)
#npband5 256 bandpp5 16 npfft5 6 npkpt5 1 # 1536 MPI x 1 thread(s)
#Self-consistent cycle parameters
wfoptalg 114
tolvrs 1.d-5
nstep 20
#Plane wave basis
ecut 8.
pawecutdg 20.
#K-points and symetries
nkpt 1
kpt 3*0.5
kptopt 0
istwfk *1
nsym 0
chksymbreak 0
#Electronic configuration
nband 3072
occopt 3
tsmear 1800. K
#Activation/deactivation of I/O
optforces 2
optstress 1
prtwf 0
prtden 0
prteig 0
timopt 0
#Simulation cell
acell 50.4 25.2 25.2
rprim 1. 0. 0. 0. 1. 0. 0. 0. 1.
natom 255
ntypat 1
typat 256*1
znucl 22.
chkprim 0
pawovlp -1
#Atomic positions
xred
!0.00000000000000 0.00000000000000 0.00000000000000
0.06250000000000 0.12500000000000 0.12500000000000
0.00000000000000 0.00000000000000 0.25000000000000
0.06250000000000 0.12500000000000 0.37500000000000
0.00000000000000 0.00000000000000 0.50000000000000
0.06250000000000 0.12500000000000 0.62500000000000
0.00000000000000 0.00000000000000 0.75000000000000
0.06250000000000 0.12500000000000 0.87500000000000
0.00000000000000 0.25000000000000 0.00000000000000
0.06250000000000 0.37500000000000 0.12500000000000
0.00000000000000 0.25000000000000 0.25000000000000
0.06250000000000 0.37500000000000 0.37500000000000
0.00000000000000 0.25000000000000 0.50000000000000
0.06250000000000 0.37500000000000 0.62500000000000
0.00000000000000 0.25000000000000 0.75000000000000
0.06250000000000 0.37500000000000 0.87500000000000
0.00000000000000 0.50000000000000 0.00000000000000
0.06250000000000 0.62500000000000 0.12500000000000
0.00000000000000 0.50000000000000 0.25000000000000
0.06250000000000 0.62500000000000 0.37500000000000
0.00000000000000 0.50000000000000 0.50000000000000
0.06250000000000 0.62500000000000 0.62500000000000
0.00000000000000 0.50000000000000 0.75000000000000
0.06250000000000 0.62500000000000 0.87500000000000
0.00000000000000 0.75000000000000 0.00000000000000
0.06250000000000 0.87500000000000 0.12500000000000
0.00000000000000 0.75000000000000 0.25000000000000
0.06250000000000 0.87500000000000 0.37500000000000
0.00000000000000 0.75000000000000 0.50000000000000
0.06250000000000 0.87500000000000 0.62500000000000
0.00000000000000 0.75000000000000 0.75000000000000
0.06250000000000 0.87500000000000 0.87500000000000
0.12500000000000 0.00000000000000 0.00000000000000
0.18750000000000 0.12500000000000 0.12500000000000
0.12500000000000 0.00000000000000 0.25000000000000
0.18750000000000 0.12500000000000 0.37500000000000
0.12500000000000 0.00000000000000 0.50000000000000
0.18750000000000 0.12500000000000 0.62500000000000
0.12500000000000 0.00000000000000 0.75000000000000
0.18750000000000 0.12500000000000 0.87500000000000
0.12500000000000 0.25000000000000 0.00000000000000
0.18750000000000 0.37500000000000 0.12500000000000
0.12500000000000 0.25000000000000 0.25000000000000
0.18750000000000 0.37500000000000 0.37500000000000
0.12500000000000 0.25000000000000 0.50000000000000
0.18750000000000 0.37500000000000 0.62500000000000
0.12500000000000 0.25000000000000 0.75000000000000
0.18750000000000 0.37500000000000 0.87500000000000
0.12500000000000 0.50000000000000 0.00000000000000
0.18750000000000 0.62500000000000 0.12500000000000
0.12500000000000 0.50000000000000 0.25000000000000
0.18750000000000 0.62500000000000 0.37500000000000
0.12500000000000 0.50000000000000 0.50000000000000
0.18750000000000 0.62500000000000 0.62500000000000
0.12500000000000 0.50000000000000 0.75000000000000
0.18750000000000 0.62500000000000 0.87500000000000
0.12500000000000 0.75000000000000 0.00000000000000
0.18750000000000 0.87500000000000 0.12500000000000
0.12500000000000 0.75000000000000 0.25000000000000
0.18750000000000 0.87500000000000 0.37500000000000
0.12500000000000 0.75000000000000 0.50000000000000
0.18750000000000 0.87500000000000 0.62500000000000
0.12500000000000 0.75000000000000 0.75000000000000
0.18750000000000 0.87500000000000 0.87500000000000
0.25000000000000 0.00000000000000 0.00000000000000
0.31250000000000 0.12500000000000 0.12500000000000
0.25000000000000 0.00000000000000 0.25000000000000
0.31250000000000 0.12500000000000 0.37500000000000
0.25000000000000 0.00000000000000 0.50000000000000
0.31250000000000 0.12500000000000 0.62500000000000
0.25000000000000 0.00000000000000 0.75000000000000
0.31250000000000 0.12500000000000 0.87500000000000
0.25000000000000 0.25000000000000 0.00000000000000
0.31250000000000 0.37500000000000 0.12500000000000
0.25000000000000 0.25000000000000 0.25000000000000
0.31250000000000 0.37500000000000 0.37500000000000
0.25000000000000 0.25000000000000 0.50000000000000
0.31250000000000 0.37500000000000 0.62500000000000
0.25000000000000 0.25000000000000 0.75000000000000
0.31250000000000 0.37500000000000 0.87500000000000
0.25000000000000 0.50000000000000 0.00000000000000
0.31250000000000 0.62500000000000 0.12500000000000
0.25000000000000 0.50000000000000 0.25000000000000
0.31250000000000 0.62500000000000 0.37500000000000
0.25000000000000 0.50000000000000 0.50000000000000
0.31250000000000 0.62500000000000 0.62500000000000
0.25000000000000 0.50000000000000 0.75000000000000
0.31250000000000 0.62500000000000 0.87500000000000
0.25000000000000 0.75000000000000 0.00000000000000
0.31250000000000 0.87500000000000 0.12500000000000
0.25000000000000 0.75000000000000 0.25000000000000
0.31250000000000 0.87500000000000 0.37500000000000
0.25000000000000 0.75000000000000 0.50000000000000
0.31250000000000 0.87500000000000 0.62500000000000
0.25000000000000 0.75000000000000 0.75000000000000
0.31250000000000 0.87500000000000 0.87500000000000
0.37500000000000 0.00000000000000 0.00000000000000
0.43750000000000 0.12500000000000 0.12500000000000
0.37500000000000 0.00000000000000 0.25000000000000
0.43750000000000 0.12500000000000 0.37500000000000
0.37500000000000 0.00000000000000 0.50000000000000
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Smilei/machines/occigen-bdw/batch_xlarge.slurm
+ 4
− 2
View file @ f150a601
......@@ -5,7 +5,7 @@
#SBATCH --cpus-per-task=3
#SBATCH -J laser
#SBATCH --constraint=BDW28
#SBATCH --time=01:00:00
#SBATCH --time=02:00:00
#SBATCH --output=xlarge_test.out
## Set the working dir to the dir in which the submission was called.
......@@ -19,12 +19,14 @@ export KMP_AFFINITY=granularity=fine,compact,1,0,verbose
mkdir -p xlarge_output
cd xlarge_output
if [[ ! -d testcase_xlarge ]] ;
if [[ ! -d ../testcase_xlarge ]] ;
then
echo "Make sure you have the checkpoint localy."
echo "If not, type: ../../testcase_xlarge/prepare.sh"
exit 0
fi
ln -s ../testcase_xlarge testcase_xlarge
srun --mpi=pmi2 -K1 -m block:cyclic -c $SLURM_CPUS_PER_TASK --resv-ports -n $SLURM_NTASKS $EXE $SMILEI_DIR/testcase_xlarge/test.py
Smilei/testcase_xlarge/README.md
+ 2
− 1
View file @ f150a601
......@@ -11,7 +11,8 @@ It requires about 250GB to run.
Prepare the test case
---------------------
This test case restarts from a checkpoint. Make sure to run the prepare.sh script in your working directory before running the application.
This test case restarts from a checkpoint. You must define the location of the checkpoint xlarge\_checkpoint.tar file in the prepare.sh script.
Make sure to run the prepare.sh script in your working directory before running the application.
Case profile
------------
......
Smilei/testcase_xlarge/prepare.sh
+ 1
− 1
View file @ f150a601
#!/bin/bash
echo "No preparation needed"
echo "Untar the checkpoint"
tar -xvf /store/CINES/dci/SHARED/abs/Smilei/xlarge_checkpoint.tar
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