Hi,
On 06/16/2014 11:26 AM, 余青芬 wrote:
> Dear Gerald,
>
>
> I installed openmpi-1.6.5 using the configure_openmpi script in
> $AMBERHOME/AmberTools/src. I didn't compile Amber14 with the default
> gcc-4.1.2 on CentOS 5.1. Are the test errors due to a non-standard
> implementation on CentOS 5.1?
Can you try compiling with the default gcc-4.1.2? (serial only first)
If the problem persists, I could send to you off the list some putative
fixes for the sebomd part, but only for sebomd.
> Do you have any suggestion to solve the
> problems using gcc-4.8.1?
CentOS upgrade?
Did you try compiling with another compiler (Intel or PGI)?
Gerald.
>
>
> Thank you.
>
>
> Qingfen
>
>
>
> --
> Qingfen Yu
> Center for High Performance Computing
> Shenzhen Institutes of Advanced Technology
> Chinese Academy of Sciences
> 1068 Xueyuan Avenue, Shenzhen University Town
> Shenzhen, P.R. China, 518055
>
>
>
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
____________________________________________________________________________
Prof. Gerald MONARD
SRSMC, Université de Lorraine, CNRS
Boulevard des Aiguillettes B.P. 70239
F-54506 Vandoeuvre-les-Nancy, FRANCE
e-mail : Gerald.Monard.univ-lorraine.fr
tel. : +33 (0)383.684.381
fax : +33 (0)383.684.371
web : http://www.monard.info
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Received on Mon Jun 16 2014 - 06:30:02 PDT
