Skip to content
GitLab
Explore
Sign in
Primary navigation
Search or go to…
Project
C
CHiPS
Manage
Activity
Members
Plan
Wiki
Code
Repository
Branches
Commits
Tags
Repository graph
Compare revisions
Analyze
Contributor analytics
Help
Help
Support
GitLab documentation
Compare GitLab plans
Community forum
Contribute to GitLab
Provide feedback
Keyboard shortcuts
?
Snippets
Groups
Projects
Show more breadcrumbs
external
CHiPS
Commits
f204248c
Commit
f204248c
authored
5 years ago
by
cloirec
Browse files
Options
Downloads
Patches
Plain Diff
Update README.md
parent
de546ec4
No related branches found
Branches containing commit
No related tags found
Tags containing commit
No related merge requests found
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
Gromacs/README.md
+2
-2
2 additions, 2 deletions
Gromacs/README.md
with
2 additions
and
2 deletions
Gromacs/README.md
+
2
−
2
View file @
f204248c
...
...
@@ -38,7 +38,7 @@ For the test, we will use a specific release. To download this release, run:
Compile:
--------
Gromacs needs cmake (
3.9.1 works
) and python (2.7) to be compiled and depends on a version of fftw (
mkl 18 works
)
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.
...
...
@@ -50,7 +50,7 @@ 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:
--------------------------------
...
...
This diff is collapsed.
Click to expand it.
Preview
0%
Try again
or
attach a new file
.
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Save comment
Cancel
Please
register
or
sign in
to comment