Re: [AMBER-Developers] more on ptraj compilation with Intel

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Fri, 5 Mar 2010 09:33:37 -0500

I've added a simple test for mixed C/Fortran compilation to configure. Right
now it will just warn if mixed C/Fortran fails, but won't stop configure or
set any specific variables. It seems to work ok on casegroup (ifort/icc 10)
and my local cygwin (gcc/gfortran 4.3.4); let me know if it doesn't work
correctly for another setup.

On Thu, Mar 4, 2010 at 11:32 PM, Scott Brozell <sbrozell.rci.rutgers.edu>wrote:

> Hi,
>
> On Thu, Mar 04, 2010 at 11:16:56PM -0500, case wrote:
> > On Thu, Mar 04, 2010, Scott Brozell wrote:
> > >
> > > That's not clear; at OSC ptraj builds fine (ignoring a gizzilion
> > > warnings from the C++ish hacking in cluster.h)
> > > with intel 10 and 11; there's no LIBRARY_PATH.
> >
> > Are you sure? Are you not running a script like
> > /opt/intel/Compiler/11.1/069/bin/intel64/iccvars_intel64.sh,
> > called from
> > /opt/intel/Compiler/11.1/069/bin/iccvars.sh
>
> Yes. Definitely not; at OSC software access is controlled by modules;
> users load or unload modules; and for intel this is it:
> module-whatis "loads the Intel C/C++/F95 compilers"
> # for Tcl script use only
> set version 11.1.056
> set intelinst /usr/local/intel-$version
> prepend-path LM_LICENSE_FILE 9.license2.osc.edu
> prepend-path MANPATH $intelinst/man
> prepend-path PATH $intelinst/bin/intel64
> append-path LD_LIBRARY_PATH $intelinst/lib/intel64
> set-alias efc ifort
> set-alias ecc icc
>
>
> > paths may be different, but should be recognizable.
> >
> > These scripts (plus ifort and mkl analogs) definitely set the
> LIBRARY_PATH
> > variable, at least at Rutgers. [version 10 scripts don't set this
> variable.]
> >
> > Actually, it looks like maybe both C and Fortran libraries are in
> > /usr/local/intel-10.0.023/lib at OSC, which is different than the layout
> > for "most" installations. So maybe this is why things work at OSC
> (version
> > 10) but fail at other locations.
>
> Yes, this is the underlying issue, and the purpose of LIBRARY_PATH
> is to specify link time paths:
>
> http://www.intel.com/software/products/compilers/docs/clin/main_cls/bldaps_cls/cppug_ccl/bldaps_manage_libs_cl.htm
>
> > I have to retire now, and won't be able to work on this tomorrow. Thanks
> for
> > the work done so far.
>
> rock a bye baby; go to sleep; go to sleep ...
> scott
>
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Received on Fri Mar 05 2010 - 07:00:03 PST
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