AMBER Archive (2008)

Subject: AMBER: Trouble installing Amber 9

From: Sampath Koppole (
Date: Wed Aug 20 2008 - 05:28:58 CDT

Hello All,
I am trying to install Amber 9 using mpich2 libs.

I could install Amber in serial mode and I am not able to install Amber in Parallel.

I did the following :

1) I installed mpich2 with ifort and icc --> Success
using :

../mpich2-1.0.7/configure --prefix=/usr/scnpr/mpich2/1.07 \
                            CC=icc FC=ifort F77=ifort \
                          --enable-error-checking=all \
                          --enable-mpe \
                           -with-python=/usr/scnpr/bin/python \

2) I then compiled Amber with configure command as :

> ./configure -p4 ifort_x86_64
> make serial
> cd test
> make test.serial

---> All tests successful !!

3) to compile in parallel I said:

> ./configure -mpich2 ifort_x86_64

make parallel ----> FAILURE

Everything compiles well but fails in the end
-- the last few lines are :

        ../lmod/lmod.a ../lapack/lapack.a ../blas/blas.a \
        ../lib/nxtsec.o ../lib/sys.a -L/usr/scnpr/mpich2/1.07/lib -lmpichf90 -lmpichf90 -lmpich -lpthread -lrt
ld: skipping incompatible /usr/scnpr/mpich2/1.07/lib/libmpichf90.a when searching for -lmpichf90
ld: cannot find -lmpichf90
make[1]: *** [sander.MPI] Error 1
make[1]: Leaving directory `/netfs/usr/prog/amber/9/sk/amber/src/sander'
make: *** [parallel] Error 2

Could anyone help me ?

Thanks ...

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