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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20071127/81372a39/attachment.htm -------------- next part -------------- A non-text attachment was scrubbed... Name: example02_np1.log Type: text/x-log Size: 2950 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20071127/81372a39/attachment.bin -------------- next part -------------- An embedded and charset-unspecified text was scrubbed... Name: make.sys.text Url: http://www.democritos.it/pipermail/pw_forum/attachments/20071127/81372a39/attachment.text
