Hi,
I'm trying to compile AMBER in parallel. Serial compilation was
successful, but compiling parallel I get problems.
I have installed Open MPI ($MPI_HOME is present). I used to configure
like: "./configure -openmpi -p4 g95". Soon it gave an error that some
Open MPI files in /include can not be found (they are there). From AMBER
list found some solution to modify "FC= g95", to
"FC=$MPI_HOME/bin/mpif90". After it worked fine, until the error in linking:
qm_div.o force.o \
../lmod/lmod.a ../lapack/lapack.a ../blas/blas.a \
../lib/nxtsec.o ../lib/sys.a
-L/public/usr/lib/openmpi/lib -lmpi_f90 -lmpi_f77 -lmpi -lopen-rte
-lopen-pal -ldl -Wl,--export-dynamic -lnsl -lutil -lm -ldl
/public/usr/lib/g95/bin/../lib/gcc-lib/i686-pc-linux-gnu/4.0.3//libf95.a(main.o):
In function `main':
/home/andy/g95.build/linux/g95-0.90/libf95.a-0.90/runtime/main.c:(.text+0x29):
undefined reference to `MAIN_'
make[1]: *** [sander.MPI] Error 1
make[1]: Leaving directory `/public/usr/lib/AMBER/src/sander'
make: *** [parallel] Error 2
Could you help me to figure out the associated problem ?
Best
Arturas
--
Arturas Ziemys, PhD
postdoc
School of Health Information Sciences
University of Texas Health Science Center at Houston
7000 Fannin, Suit 880
Houston, TX 77030
Phone: (713) 500-3975
Fax: (713) 500-3929
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Apr 27 2008 - 06:08:02 PDT
