Re: [AMBER] sebomd and qmmm2 test failing in serial/parallel for Amber14

From: 余青芬 <qf.yu.siat.ac.cn>
Date: Mon, 16 Jun 2014 17:26:38 +0800 (GMT+08:00)

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? Do you have any suggestion to solve the problems using gcc-4.8.1?


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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Received on Mon Jun 16 2014 - 02:30:02 PDT