Dear Amber Users:
I'm now compiling Amber7 on Redhat9 with ifc8.0 by following the
instruction at
http://amber.scripps.edu/cluster_info/compile_a7.html.
I installed ifc8.0 and then compiled mpich-1.2.5.2. All seem go well
before I go to amber7/src directory tring to compile amber.
The machine file I use is downloaded from
http://amber.scripps.edu/cluster_info/Machine.ifort_mpich. And bugfix.1
has been applied to amber7/src/lapack/Makefile. Next, I type 'make
install' after setenv $AMBERHOME and $MPICH_HOME. The problem seems
ocurred at the step compiling sander. Below are the error message:
====
dtrsm.o dtrsv.o dummy.o dzasum.o dznrm2.o idamax.o isamax.o lsame.o
.../Compile RANLIB blas.a
ranlib blas.a
make[3]: Leaving directory `/home/liu/amber7/src/blas'
make[2]: Leaving directory `/home/liu/amber7/src/blas'
SYSLIB=`../sysdir lib` ; ../Compile LOAD -o sander \
sander.o cshf.o noecalc.o noeread.o caldis.o calrate.o
dinten.o drates.o indexn.o kmat.o pearsn.o plane.o remarc.o nmrcal.o
.................
.................
ecomp.o ../lapack/lapack.a ../blas/blas.a ../lib/nxtsec.o
/home/liu/amber7/src/Machines/standard/sys.a
-L/usr/local/mpich-1.2.5.2_icc/lib -lmpich -lpmpich
sander.o(.text+0x50): In function `MAIN__':
: undefined reference to `mpi_init_'
sander.o(.text+0x72): In function `MAIN__':
: undefined reference to `mpi_comm_rank_'
......................
.......................
make[1]: *** [sander] Error 1
make[1]: Leaving directory `/home/liu/amber7/src/sander'
make: *** [install] Error 2
===========
Any help would be very appreciated!
Regards!
Liu
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Received on Sat May 01 2004 - 13:53:01 PDT
