Hi,
On Aug 2, 2006, at 4:00 PM, David van der Spoel wrote:
Jeffrey Gardner wrote:
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Hi folks,
I'm having issues with compiling gromacs-3.3 using the gfortran that
comes with gcc-4.1.1.
It bombs out rather quickly with the following (on amd64) :
I don't know an answer to your problem, but gromacs will *not* get
faster by using fortran (since the assembly loops are twice as fast).
And more important, even on platforms without assembly loops you need
a high-performance vendor Fortran compiler. gfortran is slightly
better than g77, but in general not faster than C code.
In file nb_kernel020_f.f:129
iexp = rshift(and(bval,expmask),expshift)
1
Error: Function 'rshift' at (1) has no IMPLICIT type
In file nb_kernel020_f.f:131
& rshift(and(bval,or(fractmask,explsb)),fractshift)
1
Error: Function 'rshift' at (1) has no IMPLICIT type
In file nb_kernel020_f.f:285
iexp = rshift(and(bval,expmask),expshift)
1
Error: Function 'rshift' at (1) has no IMPLICIT type
In file nb_kernel020_f.f:287
& rshift(and(bval,or(fractmask,explsb)),fractshift)
1
Error: Function 'rshift' at (1) has no IMPLICIT type
make[6]: *** [nb_kernel020_f.lo] Error 1
make[6]: *** Waiting for unfinished jobs....
mpicc -DHAVE_CONFIG_H -I. -I. -I../../../../src -I../../../../
include
- -DGMXLIBDIR=\"/usr/share/gromacs-3.3/top\" -march=opteron
- -fomit-frame-pointer -O3 -pipe -MT nb_kernel.lo -MD -MP -MF
.deps/nb_kernel.Tpo -c nb_kernel.c -o nb_kernel.o
make[6]: Leaving directory
`/var/tmp/portage/gromacs-3.3/work/gromacs-3.3/src/gmxlib/
nonbonded/nb_kernel'
......
!!! ERROR: sci-chemistry/gromacs-3.3 failed.
From my understanding of the gfortran mailing list, these (standard
F77) intrinsic functions were only added this summer (july 2006), so
it is probably not present in your version.
Cheers,
ERik
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