Re: [gmx-users] running g_tune_pme on stampede

2014-12-06 Thread Mark Abraham
On Sat, Dec 6, 2014 at 12:16 AM, Kevin Chen fch6...@gmail.com wrote: Hi, Has anybody tried g_tune_pme on stampede before? It appears stampede only support ibrun, but not mpi -np type of stuff. So I assume one could launch g_tune_pme with mpi using command like this (without -np option),

Re: [gmx-users] running g_tune_pme on stampede

2014-12-06 Thread Carsten Kutzner
On 06 Dec 2014, at 00:16, Kevin Chen fch6...@gmail.com wrote: Hi, Has anybody tried g_tune_pme on stampede before? It appears stampede only support ibrun, but not mpi -np type of stuff. So I assume one could launch g_tune_pme with mpi using command like this (without -np option),

[gmx-users] running g_tune_pme on stampede

2014-12-05 Thread Kevin Chen
Hi, Has anybody tried g_tune_pme on stampede before? It appears stampede only support ibrun, but not mpi -np type of stuff. So I assume one could launch g_tune_pme with mpi using command like this (without -np option), Ibrun g_tune_pme -s cutoff.tpr -launch Unfortunately, it failed. Any