[AMBER-Developers] error compiling amber

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 2 Mar 2010 13:53:58 -0500


I just checked out a version of amber earlier this morning and ran
into this error:

ifort -c -O0 -FR -o xray_utils.o _xray_utils.f
_xray_utils.f(256): error #6423: This name has already been used as an
external function name. [ERF_INV]
      erf_inv = a(1)
compilation aborted for _xray_utils.f (code 1)
make[1]: *** [xray_utils.o] Error 1
make[1]: Leaving directory `/home/swails/newamber/03.02.10/amber11/src/sander'
make: *** [serial] Error 2

I'm obviously using intel compilers with MKL. Getting rid of the
#ifdef MKL block that defines erf_inv fixes the problem. I don't want
to break things, though. All I changed was #ifdef MKL to #ifdef
MKL_somethingelse to avoid the preprocessor printing it to
_xray_utils.f .

The compilation finished, and I'm running tests now.

I'm using intel compilers and MKL all version 11. I don't know if
it's an older version of MKL that doesn't have erf_inv? The version
of xray_utils.f is 1.5 according to CVS/Entries

All the best,

Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
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Received on Tue Mar 02 2010 - 11:00:05 PST
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