<br>Hi,<br><br>I tried to compile PWscf on a AMD64 cluster with PGI 6.2 and MPICH compilers<br> installed. I used the following configurations:<br>./configure --enable-parallel ARCH=amd64 MPIF90=mpif90 F90=pgf90<br>MPIF77=mpif77 F77=pgf77 MPICC=mpicc CC=cc
<br><br>The configuration is successful. The libraries for BLAS and LAPACK are detected<br>as acml on the amd64 Linux cluster, the detected information as following:<br><br>arch = x86_64-unknown-linux-gnu<br>BLAS_LIBS = -lamcl
<br>LAPACK_LIBS = -lacml<br><br>To install the package, I add the following contents to the make.sys file"<br><br>IFLAGS = -I../include -I/bigdisk/staff/pshen/FFTW2/include<br>FFT_LIBS = -L/bigdisk/staff/pshen/FFTW2/lib -lfftw_mpi -lfftw
<br>MPI_LIBS = -L/opt/mpich.pgi64/lib -lmpich -lmpichf90<br><br>After running 'make all', the package was installed without error message.<br><br>But it looks like I could only run pw.x on one processor, and it will give error
<br>message when running any other executables when I tried to run all those <br>examples.<br><br>I guess if PGI compilers and MPICH compilers give me trouble. Would you<br> please let me know how to fix these problems? (see atached file:
make.sys and example02_np1.log. Note: np1 means using 'mpirun -np 1' as prefix)<br><br>Thanks a lot.<br><br>Peiqing Shen<br><br><br><br><br>