[gmx-users] Configuration bug preventing GROMACS 5.0 build with Intel compiler?

Åke Sandgren ake.sandgren at hpc2n.umu.se
Fri Aug 28 14:22:23 CEST 2015


The newest Intel MPI, 5.1.1.109 at least, have fixed the bug with the 
wrappers.

On 06/26/2015 03:51 PM, Mark Abraham wrote:
> Hi,
>
> I haven't tried to build with IntelMPI for a while, but we might consider
> patches to work around issues. Depends how ugly they make the things that
> are not broken :-) Perhaps Roland has experience here?
>
> Mark
>
> On Fri, Jun 26, 2015 at 3:37 PM Åke Sandgren <ake.sandgren at hpc2n.umu.se>
> wrote:
>
>> Just noticed this question from Sep 2014.
>>
>> The problem was that configuring with the Intel compiler and IntelMPI
>> causes incorrect detection of _finite.
>>
>> This is caused by bugs in the IntelMPI wrappers for both gcc and intel
>> compilers, including the MIC wrappers.
>>
>> I have patches available if someone want to have them.
>> I have not had time to report this to Intel yet...
>>
>> --
>> Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden
>> Internet: ake at hpc2n.umu.se   Phone: +46 90 7866134 Fax: +46 90-580 14
>> Mobile: +46 70 7716134 WWW: http://www.hpc2n.umu.se
>> --
>> Gromacs Users mailing list
>>
>> * Please search the archive at
>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
>> posting!
>>
>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>
>> * For (un)subscribe requests visit
>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
>> send a mail to gmx-users-request at gromacs.org.
>>

-- 
Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden
Internet: ake at hpc2n.umu.se   Phone: +46 90 7866134 Fax: +46 90-580 14
Mobile: +46 70 7716134 WWW: http://www.hpc2n.umu.se


More information about the gromacs.org_gmx-users mailing list