Re: [OMPI users] SENDRECV + MPI_TYPE_CREATE_STRUCT

2014-10-02 Thread Kawashima, Takahiro
Hi Diego, I don't know what CPU/compiler you are using and what -r8 option means, but DISPLACEMENTS(2) and DISPLACEMENTS(3) is incorrect if integer is 4 bytes and real is 8 bytes. In this case, usually there is a gap between ip and RP. See description about datatype alignment in the MPI Standard.

Re: [OMPI users] About valgrind and OpenMPI

2014-10-02 Thread XingFENG
Hi Ralph Castain, Thanks very much for your reply. I am using libhdfs, a C API to HDFS. I would ask hadoop guys for help. On Fri, Oct 3, 2014 at 12:14 AM, Ralph Castain wrote: > HmmmI would guess you should talk to the Hadoop folks as the problem > seems to be a conflict between valgrind an

Re: [OMPI users] General question about running single-node jobs.

2014-10-02 Thread Lee-Ping Wang
Hi Gus, Thanks for the suggestions! I know that QCSCRATCH and QCLOCALSCR are not the problem. When I set QCSCRATCH="." and unset QCLOCALSCR it writes all the scratch files to the current directory, which is the behavior I want. The environment variables are correctly passed in the mpirun c

Re: [OMPI users] General question about running single-node jobs.

2014-10-02 Thread Gus Correa
Hi Lee-Ping Computational Chemistry is Greek to me. However, on pp. 12 of the Q-Chem manual 3.2 (PDF online http://www.q-chem.com/qchem-website/doc_for_web/qchem_manual_3.2.pdf) there are explanations of the meaning of QCSCRATCH and QLOCALSRC, etc, which as Ralph pointed out, seem to be a s

Re: [OMPI users] General question about running single-node jobs.

2014-10-02 Thread Lee-Ping Wang
Hi Ralph, I've been troubleshooting this issue and communicating with Blue Waters support. It turns out that Q-Chem and OpenMPI are both trying to open sockets, and I get different error messages depending on which one fails. As an aside, I don't know why Q-Chem needs sockets of its own to

[OMPI users] SENDRECV + MPI_TYPE_CREATE_STRUCT

2014-10-02 Thread Diego Avesani
Dear all. I have some problem with MPI_TYPE_CREATE_STRUCT and as a consequence with SENDRECV. I have this variable type *type particle* *integer :: ip* * real :: RP(2)* * real :: QQ(4)* *end type particle* When I compile in double precision with: *mpif90 -r8 -fpp -DPARALLEL *.f90 * So when I c

Re: [OMPI users] About valgrind and OpenMPI

2014-10-02 Thread Ralph Castain
HmmmI would guess you should talk to the Hadoop folks as the problem seems to be a conflict between valgrind and HDFS. Does valgrind even support Java programs? I honestly have never tried to do that before. On Oct 2, 2014, at 4:40 AM, XingFENG wrote: > Hi there, > > I am using valgrind

[OMPI users] About valgrind and OpenMPI

2014-10-02 Thread XingFENG
Hi there, I am using valgrind to help analyse my MPI program. I used hdfs file system to read/write data. And if I run the code without valgrind, it works correctly. However, if I run with valgrind, for example, *mpirun -np 3 /usr/bin/valgrind --tool=callgrind ./myprogram /input_file /output_fi