Dear Gromacs users, I was trying to do equilibration of a mixed lipid vesicle using gromacs 5.1 in parallel. My pbs script file details for this is the following :
/home/lipi/openmpi164/bin/mpirun -np 48 /app/setups/gromacs-5.1.1/build/bin/gmx mdrun mpi -deffnm step6.2_equilibration -rdd 1.8 > test.dat However, the mdrun is terminated with the following two errors. *1)Cannot rename checkpoint file; maybe you are out of disk space?* i have checked the disk space, it still has terabytes of space left to be used. The folder where i am running it is hardly 45 MB. *2)mpirun noticed that process rank 10 with PID 62690 on node cn0013 exited on signal 11 (Segmentation fault).* Can anyone suggest me how to resolve it? Kind Regards, Antara -- Junior research fellow(project) Systems biology group CSIR-Institute of Genomics & Integrative Biology South Campus New Delhi - 110020 M : +91-9717970040 -- -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.