[Pw_forum] Compiling PWscf on AMD64 using PGI compilors

[PeiQing Sheng]

Hi,

I tried to compile PWscf on a AMD64 cluster with PGI 6.2 and MPICH compilers
 installed. I used the following configurations:
./configure --enable-parallel ARCH=amd64 MPIF90=mpif90 F90=pgf90
MPIF77=mpif77 F77=pgf77 MPICC=mpicc CC=cc

The configuration is successful. The libraries for BLAS and LAPACK are
detected
as acml on the amd64 Linux cluster,  the detected information as following:

arch = x86_64-unknown-linux-gnu
BLAS_LIBS = -lamcl
LAPACK_LIBS = -lacml

To install the package, I add the following contents to the make.sys file"

IFLAGS = -I../include -I/bigdisk/staff/pshen/FFTW2/include
FFT_LIBS       = -L/bigdisk/staff/pshen/FFTW2/lib -lfftw_mpi -lfftw
MPI_LIBS       = -L/opt/mpich.pgi64/lib -lmpich -lmpichf90

After running 'make all', the package was installed without error message.

But it looks like I could only run pw.x on one processor, and it will give
error
message when running any other executables when I tried to run all those
examples.

I guess if PGI compilers and MPICH compilers give me trouble. Would you
 please let me know how to fix these problems? (see atached file:
make.sysand example02_np1.log.  Note: np1 means using 'mpirun -np 1'
as prefix)

Thanks a lot.

Peiqing Shen
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