Dear all,
we have been trying to compile GROMACS-3.3.2 on a BG/L with blrts_XL
compilers.
These are the configure options we used:
./configure MPICC=mpixlc MPIF77=mpixlf --program-suffix=_mpi_s --
prefix=$HOME/bin/gromacs-3.3.2 --without-x --with-fft=fftpack --
enable-fortran --enable-mpi -host=powerpc
Configure works without apparent problems, but during the make we
obtain the following error:
make[5]: Entering directory `/home/b04/gspsp/gromacs-3.3.2/src/gmxlib/
nonbonded/nb_kernel'
blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o mknb.o mknb.c
blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o mknb_metacode.o
mknb_metacode.c
blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o mknb_common.o
mknb_common.c
blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o
mknb_declarations.o mknb_declarations.c
blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o
mknb_outerloop.o mknb_outerloop.c
blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o
mknb_innerloop.o mknb_innerloop.c
blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o
mknb_interactions.o mknb_interactions.c
blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -o mknb mknb.o
mknb_metacode.o mknb_common.o mknb_declarations.o mknb_outerloop.o
mknb_innerloop.o mknb_interactions.o
rm -f kernel-stamp
./mknb -software_invsqrt -fortran
>>> Gromacs nonbonded kernel generator (-h for help)
>>> Generating single precision functions in Fortran77.
>>> Using Gromacs software version of 1/sqrt(x).
Error: Cannot open nb_kernel010_f.f for writing.
make[5]: *** [kernel-stamp] Error 1
make[5]: Leaving directory `/home/b04/gspsp/gromacs-3.3.2/src/gmxlib/
nonbonded/nb_kernel'
make[4]: *** [all-recursive] Error 1
make[4]: Leaving directory `/home/b04/gspsp/gromacs-3.3.2/src/gmxlib/
nonbonded'
make[3]: *** [all-recursive] Error 1
make[3]: Leaving directory `/home/b04/gspsp/gromacs-3.3.2/src/gmxlib'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/home/b04/gspsp/gromacs-3.3.2/src'
make[1]: *** [all] Error 2
make[1]: Leaving directory `/home/b04/gspsp/gromacs-3.3.2/src'
make: *** [all-recursive] Error 1
Same problem if we try to compile without fortran.
**If we use XL instead of blrts_XL compilers, the compilation works
properly**
Any suggestion?
Thanks in advance and best regards,
Ivano
--
Ivano Eberini
Gruppo di Studio per la Proteomica e la Struttura delle Proteine
Dipartimento di Scienze Farmacologiche
Università degli Studi di Milano
Via Giuseppe Balzaretti, 9
20133 - Milano
tel.: +39-02-50318395, fax: +39-02-50318284
"Quelli che scavano il sole, cercando un'ombra migliore"
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
