Dear gromac users, after running a successful NVT, I was going to run NPT. (All ran with MPI), however when I attempt to run the NPT, I get the following segmentation error:
Getting Loaded... Reading file npt.tpr, VERSION 4.5.3 (single precision) Loaded with Money WARNING: This run will generate roughly 3890 Mb of data starting mdrun 'star' 1000000 steps, 20000.0 ps. step 0[Ultranode02:26884] *** Process received signal *** [Ultranode02:26884] Signal: Segmentation fault (11) [Ultranode02:26884] Signal code: Address not mapped (1) [Ultranode02:26884] Failing at address: 0x1f5acf020 [Ultranode02:26884] [ 0] /lib/libpthread.so.0(+0xf8f0) [0x2b21605168f0] [Ultranode02:26884] [ 1] mdrun_mpi() [0x745509] [Ultranode02:26884] *** End of error message *** /usr/local/SGE/default/spool/Ultranode02/job_scripts/39346: line 38: 26884 Segmentation fault mdrun_mpi -v -deffnm npt -----Is my system blowing up? Or there is something wrong with MPI ? (I requested 4 processors) Xu Dong Huang Chemical & Biochemical Engineering Rutgers School of Engineering xudo...@eden.rutgers.edu -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
