[gmx-users] mpirun noticed that process rank 7 with PID 19160 on node compute-0-28.local exited on signal 11 (Segmentation fault).

My log file is provided in the link below Can you please look into it and let me know why the error arises? I am feeding my commands in SGE cluster. When I run it in my login node, gmx mdrun -v -deffnm eql runs well But, through qsub command, (with 8 processors) It says, mpirun noticed that

Re: [gmx-users] Diffusion coefficient

Any help! On Saturday, September 16, 2017, Sohaib. Mohammed < sohaibmohamme...@gmail.com> wrote: > Hey Users, > > I want to calculate the diffusion coefficient using gmx msd. I want to > divide the box into slices of 5 A parallel to z axis and calculate the > diffusion coefficient for each

[gmx-users] Diffusion coefficient

Hey Users, I want to calculate the diffusion coefficient using gmx msd. I want to divide the box into slices of 5 A parallel to z axis and calculate the diffusion coefficient for each slice. My question is how to make these slices, I've tried gmx trajconv but didn't work with me. I believe it's

Re: [gmx-users] Why can't it be called Gromacs 2017 ? Re: GROMACS 2016.4 released (Mark Abraham) : gromacs.org_gmx-users Digest, Vol 161, Issue 65

On 16/09/17 06:08, Adarsh V. K. wrote: Why can't it be called 2017? *How it is different from Gromacs 5.1.4 * *Is there any need to upgrade from **Gromacs 5.1.4 to *GROMACS 2016.4 http://manual.gromacs.org/documentation/2016.4/ReleaseNotes/index.html On Fri, Sep 15, 2017 at 9:00 PM, <

Re: [gmx-users] Why can't it be called Gromacs 2017 ? Re: GROMACS 2016.4 released (Mark Abraham) : gromacs.org_gmx-users Digest, Vol 161, Issue 65

Hi, This is resolving issues in the code version we released last year. The 2017 release is still in final stages of preparation. Mark On Sat, Sep 16, 2017 at 6:08 AM Adarsh V. K. wrote: > Why can't it be called 2017? > *How it is different from Gromacs 5.1.4 * >