Dear all I encounter a problem while running command mdrun_mpi -v -deffnm em in gromacs.
I am new to the gromacs. i just ran test calculation, *simulation of lyzozyme in water*. i am able to generate gro, tpr files. But in the final step i got following error. Thanks in advance. [localhost.localdomain:23122] mca: base: component_find: paffinity "mca_paffinity_linux" uses an MCA interface that is not recognized (component MCA v1.0.0 != supported MCA v2.0.0) -- ignored [localhost.localdomain:23123] mca: base: component_find: paffinity "mca_paffinity_linux" uses an MCA interface that is not recognized (component MCA v1.0.0 != supported MCA v2.0.0) -- ignored [localhost.localdomain:23123] mca: base: component_find: ras "mca_ras_dash_host" uses an MCA interface that is not recognized (component MCA v1.0.0 != supported MCA v2.0.0) -- ignored [localhost.localdomain:23123] mca: base: component_find: ras "mca_ras_gridengine" uses an MCA interface that is not recognized (component MCA v1.0.0 != supported MCA v2.0.0) -- ignored [localhost.localdomain:23123] mca: base: component_find: ras "mca_ras_localhost" uses an MCA interface that is not recognized (component MCA v1.0.0 != supported MCA v2.0.0) -- ignored [localhost.localdomain:23123] mca: base: component_find: errmgr "mca_errmgr_hnp" uses an MCA interface that is not recognized (component MCA v1.0.0 != supported MCA v2.0.0) -- ignored [localhost.localdomain:23123] mca: base: component_find: errmgr "mca_errmgr_orted" uses an MCA interface that is not recognized (component MCA v1.0.0 != supported MCA v2.0.0) -- ignored [localhost.localdomain:23123] mca: base: component_find: errmgr "mca_errmgr_proxy" uses an MCA interface that is not recognized (component MCA v1.0.0 != supported MCA v2.0.0) -- ignored [localhost.localdomain:23123] mca: base: component_find: iof "mca_iof_proxy" uses an MCA interface that is not recognized (component MCA v1.0.0 != supported MCA v2.0.0) -- ignored [localhost.localdomain:23123] mca: base: component_find: iof "mca_iof_svc" uses an MCA interface that is not recognized (component MCA v1.0.0 != supported MCA v2.0.0) -- ignored [localhost.localdomain:23122] mca: base: component_find: rcache "mca_rcache_rb" uses an MCA interface that is not recognized (component MCA v1.0.0 != supported MCA v2.0.0) -- ignored [localhost:23122] *** Process received signal *** [localhost:23122] Signal: Segmentation fault (11) [localhost:23122] Signal code: Address not mapped (1) [localhost:23122] Failing at address: 0x44000098 [localhost:23122] [ 0] /lib64/libpthread.so.0() [0x3fcee0f500] [localhost:23122] [ 1] /usr/local/lib/libmpi.so.1(PMPI_Comm_size+0x4e) [0x2acc6d93727e] [localhost:23122] [ 2] /usr/local/gromacs/bin/../lib/libgmx_mpi.so.8(gmx_setup+0x32) [0x2acc6d195e02] [localhost:23122] [ 3] /usr/local/gromacs/bin/../lib/libgmx_mpi.so.8(init_par+0x51) [0x2acc6d234251] [localhost:23122] [ 4] mdrun_mpi(cmain+0x11f9) [0x435799] [localhost:23122] [ 5] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3fcea1ecdd] [localhost:23122] [ 6] mdrun_mpi() [0x406ee9] [localhost:23122] *** End of error message *** Segmentation fault (core dumped) -- 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