Dear QE developer and users: At first, I want to say thanks to Alex Kohlmeyer, who made me realized I still can run the calculation by normal user access. I compiled pw.x and ph.x, again, by mpich2 1.4.1p1 which was compiled by PGI fortran 9.0 (trial version). The pw.x calculation among 12 nodes (24 cores) was very nice. But when I run the ph.x, the calculation stopped at the initial step. The terminate displayed as: mpirun -machinefile nodes -np 24 ${KKK}/ph.x -npool 3 -in ${KKK}/binary.ph.in > ${KKK}/binary.ph.out application called MPI_Abort(MPI_COMM_WORLD, 0) - process 2 ......... application called MPI_Abort(MPI_COMM_WORLD, 0) - process 23 And I checked the output file, binary.ph.out, it did not show the information about process stopping: Parallel version (MPI), running on 24 processors K-points division: npool = 3 R & G space division: proc/pool = 8
Ultrasoft (Vanderbilt) Pseudopotentials Info: using nr1, nr2, nr3 values from input Info: using nr1s, nr2s, nr3s values from input Message from routine read_ions : PP will be read from ./ Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 253 253 72 8611 8611 1298 Max 254 254 73 8614 8614 1301 Sum 2025 2025 577 68891 68891 10395 Dynamical matrices for ( 3, 3, 3,) uniform grid of q-points ( 4q-points): N xq(1) xq(2) xq(3) 1 0.000000000 0.000000000 0.000000000 2 0.000000000 0.000000000 0.333333333 3 0.000000000 0.333333333 0.333333333 4 0.333333333 0.333333333 0.333333333 Calculation of q = 0.0000000 0.0000000 0.0000000 rank 3 in job 73 node01_35097 caused collective abort of all ranks exit status of rank 3: killed by signal 9 .......... rank 22 in job 73 node01_35097 caused collective abort of all ranks exit status of rank 22: killed by signal 9 Why did this problem occurred? I ran the same input file in my own computer, with mpich2 1.4.1p1 and ifort 12. It worked well at least up to the "break point". Is this problem caused by the fortran compilor PGI 9.0? Looking forward to any suggestion. Thanks a lot. -- GAO Zhe CMC Lab, Materials Science & Engineering Department, Seoul National University, South Korea -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120209/fc8426d2/attachment.htm