I used the newest version of gromacs 4.5.4 (and not install beta gpu version
) so everything goes well.
thanks for your reply
On Sun, Aug 14, 2011 at 5:52 PM, Justin A. Lemkul wrote:
>
>
> H.Ghorbanfekr wrote:
>
>> Hi ,
>>
>> I'm using mdrun-gpu for testing gpubench demos.
>> But I've got this
H.Ghorbanfekr wrote:
Hi ,
I'm using mdrun-gpu for testing gpubench demos.
But I've got this error message:
Fatal error:
reading tpx file (topol.tpr) version 73 with version 71 program
I installed different version of gromacs 4.5 to 4.5.4 and
gpu-gromacs-beta 1, 2 versions.
But it still d
no problem with Gromacs 4.0.5
> using ./mdrun-openmm.
>
> So is there any other way I could modify?
> Thanks,
>
> YY
>
>> Date: Fri, 5 Nov 2010 19:54:10 -0400
>> From: jalem...@vt.edu
>> To: gmx-users@gromacs.org
>> Subject: Re: [gmx-users] ./mdrun-gpu fata
hanks,
YY
> Date: Fri, 5 Nov 2010 19:54:10 -0400
> From: jalem...@vt.edu
> To: gmx-users@gromacs.org
> Subject: Re: [gmx-users] ./mdrun-gpu fatal error
>
>
>
> lin hen wrote:
> > Thanks a lot for your reply, I didn't have this .mdp file, and I
u
> To: gmx-users@gromacs.org
> Subject: Re: [gmx-users] ./mdrun-gpu fatal error
>
>
>
> lin hen wrote:
> > Thanks a lot for your reply, I didn't have this .mdp file, and I
> > attached the log file, how to modify?
> >
>
> You don't have an .
ubject: Re: [gmx-users] ./mdrun-gpu fatal error
>
>
>
> lin hen wrote:
> > Hi,
> >
> > I am new for gromacs, I am trying to run the mdrun-gpu executable:
> >
> > the step to build the mdrun-gpu:
> >
> > 1. disable the shared libr
lin hen wrote:
Hi,
I am new for gromacs, I am trying to run the mdrun-gpu executable:
the step to build the mdrun-gpu:
1. disable the shared libraries:
//disable shared libraries (can be problematic with MPI, Windows)
BUILD_SHARED_LIBS:BOOL=OFF
2. export LD_LIBRARY_PATH=/path to o
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