[gmx-users] Segmentation fault (core dumped) after grompp minimization

Poncho Arvayo Zatarain poncho_8629 at hotmail.com
Fri Feb 5 19:08:03 CET 2016

Hello, i'm working with a 256 phospholipid membrane and i run grompp for minimization and to generate a .tpr file, so after run grompp i run the mdrun but instantly crushed with the legend: SSteepest Descents: Tolerance Fmax: 1.0000e03. No. of steps: 50,000, nan Fmax: inf, atom: 30983. Segmentation fault (core dumped). It could be by the cluster i ' m using? These are the characteristics: 512 cores CPU, 8 GPU'S, 2 visualization notes. Or it is like a Gromacs bug? Iḿ running in Gromacs 5.0.4. Or i have an error at atom 30983? I attached my .mdp file that i used for grompp of miniization. How can i solve it?Thanks 		 	   		  

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