Dear Gromacs users I'm having some troubles running grompp on a IBM cluster P575 with AIX 5.3 installed. This is the error message that I'm getting: ==================================================== processing coordinates... double-checking input for internal consistency... renumbering atomtypes... ------------------------------------------------------- Program grompp_d, VERSION 3.3.1 Source code file: smalloc.c, line: 113
Fatal error: calloc for nbsnew (nelem=677329, elsize=148, file grompp.c, line 723) ------------------------------------------------------- "I'm An Oakman" (Pulp Fiction) : Not enough space ==================================================== While digging into the archive I've managed to find this post http://www.gromacs.org/pipermail/gmx-users/2006-February/020066.html, which basically says that there is not enough memory for the job. My job is lunched with LoadLeveler where I can define the @resources = ConsumableMemory (value), but if this is not defined in the LoadLeveler script, I think that the program should thake as much memory as it requires. So my question is why does Gromacs, a program renowned for low memory requirements, give this error message? Thank you Marius Retegan _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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
