Re: [gmx-users] Regarding segmentation fault in GPU_gromacs 4.6.1

2014-07-17 Thread Justin Lemkul
On 7/17/14, 1:51 AM, DeBaJiT DeY wrote: Hello, I am trying to simulate a peptide-membrane system on GPU using gromacs 4.6.1 . However whenever I invoke the mdrun command I get an error as *srun: error: coe3: task 0: Segmentation fault (core dumped)*. Can anybody please suggest me what might

[gmx-users] Regarding segmentation fault in GPU_gromacs 4.6.1

2014-07-16 Thread DeBaJiT DeY
Hello, I am trying to simulate a peptide-membrane system on GPU using gromacs 4.6.1 . However whenever I invoke the mdrun command I get an error as *srun: error: coe3: task 0: Segmentation fault (core dumped)*. Can anybody please suggest me what might be the problem? *Script file used to submit