AMBER Archive (2008)

Subject: AMBER: parallel error : undefined reference to `MAIN_'

From: Arturas Ziemys (
Date: Fri Apr 25 2008 - 16:14:59 CDT


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
In function `main':
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 ?



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

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