[AMBER-Developers] Parallel RISM on Cygwin

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Fri, 26 Mar 2010 10:25:59 -0400

Hi All,

I know this is low-priority right now but I hit a small snag in compiling
sander.RISM.MPI under cygwin. It appears the problem is in compiling

make[2]: Entering directory `/home/Dan/Amber/CVS/amber11/src/fftw-2.1.5'
Making install in fftw
mkdir .libs
libtool: link: warning: undefined symbols not allowed in i686-pc-cygwin
shared libraries [This message occurs several times]
mpicc -DCYGWIN -DBINTRAJ test_sched.c -o test_sched
/tmp/ccBMABYM.o:test_sched.c:(.text+0x104): undefined reference to
/tmp/ccBMABYM.o:test_sched.c:(.text+0x153): undefined reference to
/tmp/ccBMABYM.o:test_sched.c:(.text+0x18f): undefined reference to
/tmp/ccBMABYM.o:test_sched.c:(.text+0x1c5): undefined reference to

and ultimately the compile fails. So it seems that FFTW-2.1.5 does something
with libraries that cygwin doesn't like. A web search on this is pretty
inconclusive - it seems other people have had similar issues but no one
really know what the deal is. However on the FFTW under their release notes
for FFTW 3 (http://www.fftw.org/release-notes.html) it seems that certain
things under cygwin have been fixed. Since we already seem to have
FFTW-3.2.2 in the /src directory, would it be a simple thing to tell RISM to
use this instead? Just out of curiosity why do we have 2 versions of FFTW

Like I said, not a big deal if it doesn't get sorted out - I'd be willing to
bet I'm one of very few who will try to compile parallel under cygwin...


Daniel R. Roe
Postdoctoral Associate
SAS - Chemistry & Chemical Biology
610 Taylor Road
Piscataway, NJ   08854
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Received on Fri Mar 26 2010 - 07:30:02 PDT
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