Dear GMX users, I am facing Memory problem while running g_cluster and g_rms (for RMSD matrix) calculations. The output of g_rms command is as follows. ##################################################################### Building RMSD matrix, 50001x50001 elements element 9040; time 9040.00 Fatal error: calloc for rmsd_mat[i] (nelem=50001, elsize=4, file g_rms.c, line 575): Not enough space #####################################################################
But I am sure that the available physical RAM memory is sufficient (> 50 Giga Bytes) for calculations, but somehow the program is unable to utilize the memory. Below is the output of "top" command in our server, which tells about the available RAM. ##################################################################### load averages: 0.11, 1.46, 2.59; up 8+01:16:22 17:25:28 194 processes: 193 sleeping, 1 on cpu CPU states: 98.9% idle, 0.0% user, 1.1% kernel, 0.0% iowait, 0.0% swap Memory: 64G phys mem, 53G free mem, 16G swap, 16G free swap ##################################################################### IS there any way to make the program to utilize all the available RAM? Thanking you, Sridhar Acharya _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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
