[AMBER] Compiling problems with -openmp

From: David A Case <case.biomaps.rutgers.edu>
Date: Fri, 26 Apr 2013 15:51:28 -0400

On Thu, Apr 25, 2013, Eugene Yedvabny wrote:
>
> /home/eyedvabny/amber12/bin/nab -o matextract matextract.o
> icc: error #10236: File not found:
> '/share/apps/intel/composer_xe_2013.2.146/lib/intel64/ifort/libiomp5.a'
> cc failed!

The problem is at line 1629 or 1636 of AMBERHOME/AmberTools/src/configure2.
It looks like it only is triggered with the combination of MKL, -openmp, and
some pretty recent version of the Intel compilers. It looks like you (or we)
may be able to fix up the "$fl" variable and re-run configure. Or maybe
libiomp5.a is not really needed(?)

It looks like not using MKL would avoid the problem, and that is probably the
least intrusive work-around. And be sure you really need the intel compilers,
which keep changing all the time :-(

I'll play around with various options, and try to get a fix.

[Incidentally, the first step in debugging the problem above is to add the
"-v" (verbose) flag to the nab command, which gives details on what is going
on underneath the hood.]

Thanks for the report....dac

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Received on Fri Apr 26 2013 - 13:00:02 PDT
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