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Koushik Choudhury

  • Registered on: 10/11/2019
  • Last connection: 12/09/2019

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11/17/2019

01:33 PM GROMACS Bug #3200: Segmentation Fault in gmx mdrun in gromacs 2020-beta1 and hwloc 2.0.2
Yuxuan Zhuang wrote:
> Koushik Choudhury wrote:
> > Thanks again. I think there must be something wrong in the way ...

11/15/2019

10:37 AM GROMACS Bug #3200: Segmentation Fault in gmx mdrun in gromacs 2020-beta1 and hwloc 2.0.2
Thanks again. I think there must be something wrong in the way I compiled it on the cluster as it runs perfectly on m...

11/13/2019

02:43 PM GROMACS Bug #3200: Segmentation Fault in gmx mdrun in gromacs 2020-beta1 and hwloc 2.0.2
Thanks. I think then there must be some problem in the way I compiled it on the cluster.

11/12/2019

11:37 AM GROMACS Bug #3200: Segmentation Fault in gmx mdrun in gromacs 2020-beta1 and hwloc 2.0.2
I installed the Beta2 and I still get the same problem :
GROMACS: gmx mdrun, version 2020-beta2
Executable: ...

11/06/2019

02:25 PM GROMACS Bug #3200 (Closed): Segmentation Fault in gmx mdrun in gromacs 2020-beta1 and hwloc 2.0.2
extarct gromacs-2020-beta1.tar.gz to gromacs-2020-beta1/
cd gromacs-2020-beta1/
mkdir build
cd ../
open build_...

10/14/2019

11:48 AM GROMACS Bug #3129: std::bad_alloc in pdb2gmx with Gromacs 2020 beta
I used the charmm36 forcefield and TIP3P water model.

10/11/2019

05:41 PM GROMACS Bug #3129: std::bad_alloc in pdb2gmx with Gromacs 2020 beta
The input pdb file for pdb2gmx.
05:28 PM GROMACS Bug #3129 (Closed): std::bad_alloc in pdb2gmx with Gromacs 2020 beta
Edited the BASEDIR='/nethome/koushikc' and BUILD_VERSIONS='2020-beta1' in build_gromacs.sh
sh_gromacs.sh.
This in...

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