the relevant manuals.
- Original Message
From: liu xin [EMAIL PROTECTED]
To: Discussion list for GROMACS users gmx-users@gromacs.org
Sent: Tuesday, October 9, 2007 1:38:50 PM
Subject: Re: [gmx-users] only one cpu works in my linux cluster
Thanks Alan
in fact I've already added the option
this.
- Original Message
From: liu xin [EMAIL PROTECTED]
To: Discussion list for GROMACS users gmx-users@gromacs.org
Sent: Monday, October 8, 2007 1:51:12 PM
Subject: [gmx-users] only one cpu works in my linux cluster
Dear GMXers
this is how I've done it so far
Dear GMXers
this is how I've done it so far:
grompp -f -c -p -o 12np.tpr -np 12
qsub -l node=6 12np.sh (/home/me/mpich2/bin/mpirun -np 12 mdrun -s
12np.tpr-np 12 )
then it seems my mdrun works fine, but when I ssh to each node to check the
cpu efficiency with top, I find that there's only one cpu
-users] only one cpu works in my linux cluster
Dear GMXers
this is how I've done it so far:
grompp -f -c -p -o 12np.tpr -np 12
qsub -l node=6 12np.sh (/home/me/mpich2/bin/mpirun -np 12 mdrun -s 12np.tpr -np
12 )
then it seems my mdrun works fine, but when I ssh to each node to check the cpu
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