QM/MM calculation requested. there we go! Layer 0 nr of QM atoms 30 QMlevel: RHF/STO-3G
number of CPUs for gaussian = 1 memory for gaussian = 50000000 accuracy in l510 = 8 NOT using cp-mcscf in l1003 Level of SA at start = 0 [yoochancal2-desktop:09740] *** Process received signal *** [yoochancal2-desktop:09740] Signal: Segmentation fault (11) [yoochancal2-desktop:09740] Signal code: Address not mapped (1) [yoochancal2-desktop:09740] Failing at address: (nil) [yoochancal2-desktop:09740] [ 0] /lib/libpthread.so.0 [0x7f3d70cd5080] [yoochancal2-desktop:09740] [ 1] /lib/libc.so.6(strlen+0x30) [0x7f3d709d4c60] [yoochancal2-desktop:09740] [ 2] /lib/libc.so.6(fputs+0x1e) [0x7f3d709bcb3e] [yoochancal2-desktop:09740] [ 3] mdrun(init_gaussian+0x4eb) [0x52709b] [yoochancal2-desktop:09740] [ 4] mdrun(init_QMMMrec+0x10e0) [0x51fb10] [yoochancal2-desktop:09740] [ 5] mdrun(mdrunner+0xf59) [0x435339] [yoochancal2-desktop:09740] [ 6] mdrun(main+0x3da) [0x43bd2a] [yoochancal2-desktop:09740] [ 7] /lib/libc.so.6(__libc_start_main+0xe6) [0x7f3d709725a6] [yoochancal2-desktop:09740] [ 8] mdrun [0x41c4d9] [yoochancal2-desktop:09740] *** End of error message *** Segmentation fault QM/MM (Gaussian 03, Gromacs 4.0.5) I edited gaussian03 link files by under link. http://wwwuser.gwdg.de/~ggroenh/qmmm.html I have no Idea what the error message mean. Any suggestions? regard. yoochan.-- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
