What OS, what exact Intel compiler version and what version of the glibc
package are you using? This sounds like the issue we were facing late last
year when a new glibc version in CentOS 7 exposed faulty behavior in the Intel
compilers [0].
[0]
https://software.intel.com/en-us/articles/intel-compiler-not-compatible-with-glibc-224-9-and-newer
Am Donnerstag, 1. Februar 2018, 01:12:29 CET schrieb Ilyas Yildirim:
> Dear All,
>
> I am sending this email to get a feedback on a problem I am having for a
> long time. I am unable to compile AMBER16 with intel compilers. The
> compilation seems to finish without any error message, yet when I test
> 'pbsa' it fails. It basically yields NaN energy values. I do not have any
> issues when compiling the code with gnu compilers. I am trying to pinpoint
> the issue; whether it is related to intel compilers or the cluster I am
> trying to install amber16. I just want to know if anyone could compile
> AMBER16 with the latest intel compilers at all. Thanks in advance.
>
> Cheers,
>
> Ilyas Yildirim, Ph.D.
> ---------------------------------------------------------
> = Assistant Professor =
> = Department of Chemistry & Biochemistry =
> = Florida Atlantic University =
> = 5353 Parkside Drive, Building MC17, Jupiter, FL 33458 =
> = =
> = Phone: +1(561)799-8325 | E-mail: iyildirim.fau.edu =
> ---------------------------------------------------------
> = Group Website: http://cosweb1.fau.edu/~iyildirim =
> = =
> = http://scholar.google.com/citations?user=O6RQCcwAAAAJ =
> ---------------------------------------------------------
>
> _______________________________________________
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--
Patrice Peterson
Referent für High Performance Computing
Martin-Luther-Universität Halle-Wittenberg
Tel. (+49) 345-55 21864
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Received on Thu Feb 01 2018 - 05:00:03 PST
