Dear members I happened to get an error which is as follows :
Error on node 17, will try to stop all the nodes Halting parallel program mdrun_mpi on CPU 17 out of 32 gcq#106: "Step Aside, Butch" (Pulp Fiction) node26:19.MPID_CH_Abort: node26:19.Aborting program! node26:17.MPID_CH_Abort: node26:17.Aborting program! node26:16.MPID_CH_Abort: node26:16.Aborting program! node26:18.MPID_Abort: node26:18.MPI Abort by user Aborting program ! node26:18.MPID_CH_Abort: node26:18.Aborting program! ------------------------------------------------------- Program mdrun_mpi, VERSION 3.3.1 Source code file: nsgrid.c, line: 226 Range checking error: Explanation: During neighborsearching, we assign each particle to a grid based on its coordinates. If your system contains collisions or parameter errors that give particles very high velocities you might end up with some coordinates being +-Infinity or NaN (not-a-number). Obviously, we cannot put these on a grid, so this is usually where we detect those errors. Make sure your system is properly energy-minimized and that the potential energy seems reasonable before trying again. Variable ci has value -2147483648. It should have been within [ 0 .. 658503 ] Please report this to the mailing list ([email protected]) ------------------------------------------------------- "Step Aside, Butch" (Pulp Fiction) Error on node 16, will try to stop all the nodes Halting parallel program mdrun_mpi on CPU 16 out of 32 gcq#106: "Step Aside, Butch" (Pulp Fiction) I think it is a problem with energy minimisation and neutralising the system. However I tried many ways to solve the issue, it still seems to give me the same error. Could anyone suggest what could be the possible cause of this error. Thanks in advance Sincerely Namitha _______________________________________________ gmx-users mailing list [email protected] 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
