From NWChem
Viewed 183 times, With a total of 3 Posts
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Gets Around
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Posts 71
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3:26:56 AM PDT - Wed, Aug 26th 2015 |
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Hi,
i'm getting this error when compiling on Fedora Rawhide x86_64 (gfortran-5.1.1):
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Making libraries in geom
gfortran -c -m64 -ffast-math -Warray-bounds -Warray-bounds -fdefault-integer-8 -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/builddir/build/BUILD/Nwchem-6.5.revision26243-src.2014-09-10/src/include -I/usr/include/openmpi-x86_64 -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DPARALLEL_DIAG geom.F
gfortran -c -m64 -ffast-math -Warray-bounds -Warray-bounds -fdefault-integer-8 -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/builddir/build/BUILD/Nwchem-6.5.revision26243-src.2014-09-10/src/include -I/usr/include/openmpi-x86_64 -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DPARALLEL_DIAG geom_input.F
geom.F:2703:10:
if (ydot(3*ncenter(geom),velocities(1,1,geom),1,
1
Error: Function 'ydot' at (1) has no IMPLICIT type
geom.F:861:11:
$ ydot(3, efield(1,geom), 1, efield(1,geom), 1) .gt. 0.0d0
1
Error: Function 'ydot' at (1) has no IMPLICIT type
geom.F:983:16:
e_nd_ef = ydot(3, ndipole(1,geom), 1, efield(1,geom), 1)
1
Error: Function 'ydot' at (1) has no IMPLICIT type
../config/makefile.h:2832: recipe for target '/builddir/build/BUILD/Nwchem-6.5.revision26243-src.2014-09-10/lib/LINUX64/libnwcutil.a(geom.o)' failed
It's http://www.nwchem-sw.org/download.php?f=Nwchem-6.5.revision26243-src.2014-09-10.tar.gz
with only the https://pkgs.fedoraproject.org/repo/pkgs/nwchem/Makefile_gcc4x8x9.patch/ and
http://pkgs.fedoraproject.org/cgit/nwchem.git/tree/Makefileh_use_arur.patch patches applied.
See the full log at: http://koji.fedoraproject.org/koji/getfile?taskID=10671820&name=build.log&offset=-...
Marcin
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Edited On 3:29:47 AM PDT - Wed, Aug 26th 2015 by Marcindulak
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Edoapra Forum:Admin, Forum:Mod, bureaucrat, sysop
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Forum Vet
Threads 4
Posts 936
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9:38:48 AM PDT - Wed, Aug 26th 2015 |
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Marcin
What is the output of the commands
grep -i dot $NWCHEM_TOP/src/util/util.fh
grep -i dot $NWCHEM_TOP/src/include/util.fh
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Edited On 9:40:25 AM PDT - Wed, Aug 26th 2015 by Edoapra
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Edoapra Forum:Admin, Forum:Mod, bureaucrat, sysop
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Forum Vet
Threads 4
Posts 936
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9:46:20 AM PDT - Wed, Aug 26th 2015 |
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Marcin
This is the point of breakage of the rawhide build
/builddir/build/BUILD/Nwchem-6.5.revision26243-src.2014-09-10/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 > dependencies
/builddir/build/BUILD/Nwchem-6.5.revision26243-src.2014-09-10/src/config/64_to_32 task_num_grad.F task_bsse.F
../config/makelib.h:276: recipe for target '64_to_32' failed
make[1]: *** [64_to_32] Segmentation fault (core dumped)
GNUmakefile:164: recipe for target '64_to_32' failed
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Gets Around
Threads 16
Posts 71
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6:53:58 AM PDT - Fri, Aug 28th 2015 |
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yes, thanks for noticing. I see also that the build needs the hostname.
The fact is the nwchem build fails randomly on the Fedora build systems (koji) or locally (mock).
I'm waiting for Fedora Rawhide updates to "solve" the problem, otherwise I'll post another message.
Marcin
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