Re: [AMBER-Developers] First AmberTools release candidate

From: Volodymyr Babin <>
Date: Tue, 16 Mar 2010 21:01:10 -0400 (EDT)

>> opteron/linux: ifort 9.1 + gcc 4.3.4 -- 4 tests formally failed,
>> but it looks like roundoff; ptraj.MPI passed on 4 cpus
>> [after replacing icc by gcc in configure]
> Is there some reason you did not use icc? This is a very non-standard
> configuration -- but glad that it seems to work.

Simply because I do not have icc; I would not have ifort either, but
back at that time gcc did not support fortran90/95.

>> xeon32/linux: ifort 10.1.022 + icc 10.1.022 + mkl 9.1.023 (probably; not
>> sure since this is not my computer {university cluster}; the folder name
>> is mkl91023)
>> there were some difficulties with MKL:

I see ... I did not use -oldmkl [but configure went OK]; I will
reiterate (with/without the Tyler's patch) and report back.

Best regards,


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Received on Tue Mar 16 2010 - 18:30:02 PDT
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