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

From: David A Case <>
Date: Wed, 18 Jun 2014 07:02:45 -0600

On Wed, Jun 18, 2014, 余青芬 wrote:
> I try compiling with the default gcc-4.1.2 on CentOS 5.1, and the sebomd
> test errors in serial and parallel (2, 4 and 8 processes) persist. It
> is appreciated if you could send me some putative fixes for the sebomd
> part.

gcc-4.1.2 is seven years old, and we already turn off many features of Amber
for that compiler (see line 851 of $AMBERHOME/AmberTools/src/configure2).
It seems likely that if you need sebomd, you will have to install a more
current compiler suite.

> We currently cannot update the CentOS,

You probably don't need to update the OS. Just install more current
compilers, perhaps just for your own use (if, for example you don't have
root access.)

...good luck....dac

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Received on Wed Jun 18 2014 - 06:30:02 PDT
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