[gmx-users] compilation error in gmx_sgangle.c: 313 with pg on opteron

Claudio J. Margulis claudio-margulis at uiowa.edu
Tue Dec 20 01:55:15 CET 2005

Hi all,
I am trying to upgrade my version of gromacs to run with the native 64 
bit goodies.
The compilation dies in file gmx_sgangle.c the output of the compiler 

 mpicc -DHAVE_CONFIG_H -I. -I. -I../../src -I../../include 
-DGMXLIBDIR=\"/usr/local/gromacs/share/top\" -fastsse -c gmx_sgangle.c 
-o gmx_sgangle.o
PGC-S-0090-Scalar data type required for logical expression 
(gmx_sgangle.c: 313)
PGC-S-0090-Scalar data type required for logical expression 
(gmx_sgangle.c: 320)
PGC/x86-64 Linux/x86-64 6.0-4: compilation completed with severe errors
make[3]: *** [gmx_sgangle.lo] Error 1
make[3]: Leaving directory `/data/raid0/local/src/gromacs-3.3/src/tools'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/data/raid0/local/src/gromacs-3.3/src'
make[1]: *** [all] Error 2
make[1]: Leaving directory `/data/raid0/local/src/gromacs-3.3/src'
make: *** [all-recursive] Error 1

I searched the mailing list but have not found anything on this. Can 
anybody help?
As you can see from the above I am compiling for parallel runs using 
portland group compilers.
I think that the error might be on the *box. How do I fix the source code?
Thanks! Cheers,

Claudio J. Margulis
Assistant Professor
Department of Chemistry
University of Iowa
Iowa City, Iowa 52242
Phone: 319-335-0615
Fax: 319-335-1270

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