Abinit
From FarmShare
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== Abinit == | == Abinit == | ||
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| + | Parallel Abinit is available on FarmShare. This install uses MPI and ACML. To use it you need to submit a parallel job to the barley cluster. | ||
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| + | == MPI example on barley cluster == | ||
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| + | <source lang="sh"> | ||
| + | bishopj@scorn:~$ module load abinit | ||
| + | bishopj@scorn:~$ mkdir abinittest | ||
| + | bishopj@scorn:~$ cd 14 | ||
| + | -bash: cd: 14: No such file or directory | ||
| + | bishopj@scorn:~$ cd abinittest | ||
| + | bishopj@scorn:~/abinittest$ cp -rp $ABINITHOME/share/abinit-test . | ||
| + | bishopj@scorn:~/abinittest$ cd abinit-test/ | ||
| + | bishopj@scorn:~/abinittest/abinit-test$ ls | ||
| + | Psps_for_tests atompaw cpu fox paral seq tutoparal unitary v4 v7 | ||
| + | Scripts bigdft doc gpu pymods testbot.py tutoplugs v1 v5 vdwxc | ||
| + | __init__.py buildsys etsf_io libxc pytests.py testlint.py tutorespfn v2 v6 wannier90 | ||
| + | abirules built-in fast mpiio runtests.py tests.env tutorial v3 v67mbpt | ||
| + | bishopj@scorn:~/abinittest/abinit-test$ cd tutoparal/Input/ | ||
| + | bishopj@scorn:~/abinittest/abinit-test/tutoparal/Input$ cp -p /afs/ir/users/b/i/bishopj/farmshare/abinit/abinit-test/tutoparal/Input/abinit.submit . | ||
| + | bishopj@scorn:~/abinittest/abinit-test/tutoparal/Input$ qsub abinit.submit | ||
| + | Your job 1143544 ("abinit") has been submitted | ||
| + | bishopj@scorn:~/abinittest/abinit-test/tutoparal/Input$ qstat | ||
| + | job-ID prior name user state submit/start at queue slots ja-task-ID | ||
| + | ----------------------------------------------------------------------------------------------------------------- | ||
| + | 1143544 0.39219 abinit bishopj r 10/12/2013 10:25:56 raring.q@barley07.Stanford.EDU 4 | ||
| + | bishopj@scorn:~/abinittest/abinit-test/tutoparal/Inpu | ||
| + | </source> | ||
Revision as of 10:28, 12 October 2013
Abinit
Parallel Abinit is available on FarmShare. This install uses MPI and ACML. To use it you need to submit a parallel job to the barley cluster.
MPI example on barley cluster
bishopj@scorn:~$ module load abinit bishopj@scorn:~$ mkdir abinittest bishopj@scorn:~$ cd 14 -bash: cd: 14: No such file or directory bishopj@scorn:~$ cd abinittest bishopj@scorn:~/abinittest$ cp -rp $ABINITHOME/share/abinit-test . bishopj@scorn:~/abinittest$ cd abinit-test/ bishopj@scorn:~/abinittest/abinit-test$ ls Psps_for_tests atompaw cpu fox paral seq tutoparal unitary v4 v7 Scripts bigdft doc gpu pymods testbot.py tutoplugs v1 v5 vdwxc __init__.py buildsys etsf_io libxc pytests.py testlint.py tutorespfn v2 v6 wannier90 abirules built-in fast mpiio runtests.py tests.env tutorial v3 v67mbpt bishopj@scorn:~/abinittest/abinit-test$ cd tutoparal/Input/ bishopj@scorn:~/abinittest/abinit-test/tutoparal/Input$ cp -p /afs/ir/users/b/i/bishopj/farmshare/abinit/abinit-test/tutoparal/Input/abinit.submit . bishopj@scorn:~/abinittest/abinit-test/tutoparal/Input$ qsub abinit.submit Your job 1143544 ("abinit") has been submitted bishopj@scorn:~/abinittest/abinit-test/tutoparal/Input$ qstat job-ID prior name user state submit/start at queue slots ja-task-ID ----------------------------------------------------------------------------------------------------------------- 1143544 0.39219 abinit bishopj r 10/12/2013 10:25:56 raring.q@barley07.Stanford.EDU 4 bishopj@scorn:~/abinittest/abinit-test/tutoparal/Inpu
