Re: [gmx-users] Error while running starting grompp and mdrun

Ragothaman Yennamalli wrote: Dear Mark, Thanks for the mail. Since there's three different usages of -np you'd need to be more precise to make a good description of your problem. I was changing the -np option in mdrun and grompp. The symptoms you observe make sense if $NSLOTS==1. Since

Re: [gmx-users] Error while running starting grompp and mdrun

Dear Mark, Thanks for the mail. > > Since there's three different usages of -np you'd > need to be more > precise to make a good description of your problem. > I was changing the -np option in mdrun and grompp. > The symptoms you observe make sense if $NSLOTS==1. Since > all three -np > fla

Re: [gmx-users] Error while running starting grompp and mdrun

Ragothaman Yennamalli wrote: Dear all, I get an error while running grompp or mdrun in a Sun cluster. Each node has 4 processors. I am submitting the job via a SGE script. After, I submit the job by "$qsub test_gromacs", the run terminates with the following message in the log file. Please tell

[gmx-users] Error while running starting grompp and mdrun

Dear all, I get an error while running grompp or mdrun in a Sun cluster. Each node has 4 processors. I am submitting the job via a SGE script. After, I submit the job by "$qsub test_gromacs", the run terminates with the following message in the log file. Please tell me how to troubleshoot this p