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CNMS
CNMS_Computing_Resources
Commits
380cc15b
Commit
380cc15b
authored
Dec 13, 2017
by
Doak, Peter W
Browse files
clean up of example
parent
c54508b1
Changes
1
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TITAN/namd/apoa1/run_namd.sh
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380cc15b
...
...
@@ -20,9 +20,7 @@ export MPICH_UNEX_BUFFER_SIZE=100M
NPROC
=
$((
PBS_NUM_NODES
))
cd
$PBS_O_WORKDIR
#0 +ppn 7 +setcpuaffinity \
# +pemap 0,2,4,6,8,10,12 +commap 14 \
aprun
-n
$NPROC
-N
1
-d
8 namd2 ++ppn 7 +setcpuaffinity
\
+pemap 0,2,4,6,8,10,12 +commap 14 +idlepoll +devices 0
\
apoa1.namd
>
& apoa1_test.log
\ No newline at end of file
apoa1.namd
>
& apoa1_test.log
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