[gmx-users] recompile gromacs

Erik Marklund erik.marklund at chem.ox.ac.uk
Wed Feb 24 10:21:49 CET 2016


Dear Mehreen,

Let’s keep this discussion on the list. How did you recompile gromacs?

Kind regards,
Erik

> On 24 Feb 2016, at 05:23, Mehreen Jan <mehreen_jan1990 at yahoo.com> wrote:
> 
> Respected sir!
> Thanks for your  response
> 
> I recompile my system(gromacs5.0.7) but the error remain same.
> looking for your response to solve this issue.
> 
> thank you one again
> 
> 
> 
> 
> --------------------------------------------
> On Mon, 22/2/16, Erik Marklund <erik.marklund at chem.ox.ac.uk> wrote:
> 
> Subject: Re: [gmx-users] how to correct/remove error  installation issue
> To: "gmx-users at gromacs.org" <gmx-users at gromacs.org>, "Mehreen Jan" <mehreen_jan1990 at yahoo.com>
> Received: Monday, 22 February, 2016, 8:46 PM
> 
> Dear Mehreen,
> 
> You need to recompile. How was
> your gromacs installed the first time around? The error
> basically tells you to issue "cmake -DGMX_USE_RTD
> SCP=OFF <other options> <path to the source
> code>" at the cmake step.
> 
> Kind regards,
> Erik
> 
>> On 22 Feb 2016, at 15:04, Mehreen Jan
> <mehreen_jan1990 at yahoo.com>
> wrote:
>> 
>> 
>> thank you!
>> 
>> Erik
>> 
>> 
>> any idea how to fix
> this error??
>> version 5.0.7 
>> 
>> this is not a space
> issue i think it is installation issue
>> 
> any idea how to fix this issue???
>> thank
> you
>> 
>> 
>> 
>>> 
>>>> error:
>>>> the gmx executable was compiled to
> use the rdtscp CPU
>>>> instruction.
> however  this is not supported by the
>>>> current hardware and continuing
> would ta a
>>> crash.please
>>>> rebuild gromacs with GMX_USE_RTD
> SCP=OFF CMAKE option
>>>> is it is
> installation issue???
>>>> how to
> correct this issue???
>>>> any
> ides??
>>>> mehreen jan 
>> 
>> 
>>>> 
>>> 
>> -- 
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