Hi all
I am trying to do a Normal Mode Analysis on a protein assembly with 1.05 million atoms without solvent or ions. I ma trying to do so using Gromacs 5.0.4 double precision using 1024 processor and up to 256 GB of RAM, but it always fails. I do not get any error message from Gromacs in just finished. The last lines of my error log file are: starting normal mode calculation 'GRoups of Organic Molecules in ACtion for Science in water' 2114424 steps. Maximum force: 1.59067e+03 The force is probably not small enough to ensure that you are at a minimum. Be aware that negative eigenvalues may occur when the resulting matrix is diagonalized. [NID 00841] 2016-08-30 16:36:59 Apid 6732636: initiated application termination [NID 00841] 2016-08-30 16:37:01 Apid 6732636: OOM killer terminated this process. Any suggestion Michael -- 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.
