We've downloaded ex novo the new binaries of TM6.2, after the patches were released and deleted the old TM6.2 dir, however we're experiencing problems when running TM in parallel via the MPI PARA_ARCH, which, to the best of our knowledge, is the only parallel platform available on 32-bit linux .
Attached are excerpta from dscf.statistics.parallel to show the version of TM6.2 at our disposal and from dscf.out files tho show the error message. The last seems to suggest that the mpich executable from the new HP-MPI release does not work on our cluster. We add that we tested the dscf module in serial mode also and it appears to work fine. For our tests we used some old inputs which went fine w. TM5.10, TM6.0 and TM6.1 versions, properly installed and perfectly working on our 32-bit cluster. We also wish to add that both TM61 and TM62 sysname scripts automatically assign i786 to our cluster without any forcing and that environment variables were set to the dir of TM6.2 and the system was rebooted before executing the tests.
Any help will be appreciated. Thanks in advance
Amedeo
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DSCF.OUT
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STARTING dscf ON 2 PROCESSORS!
RUNNING PROGRAM /home/programmi/tmole62/TURBOMOLE/bin/i786-pc-linux-gnu_mpi/dscf_mpi.
PLEASE WAIT UNTIL dscf HAS FINISHED.
Look for the output in slave1.output.
/home/programmi/tmole62/TURBOMOLE/bin/i786-pc-linux-gnu_mpi/dscf: line 333:
/home/programmi/tmole62/TURBOMOLE/mpirun_scripts/i786-pc-linux-gnu_mpi/HPMPI/bin/mpirun.mpich: cannot execute binary file
No file slave1.output found?
DSCF.STATISTICS.PARALLEL
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operating system is UNIX !
hostname is alpha
----> a dscf INTEGRAL TASK STATISTICS run will be performed ! <----
PARALLEL STATISTIC PARAMETERS READ IN :
maxdisk = 0 MBytes
maxtask = 2345 Tasks
dynamo = 1.000 dynamic task fraction
dscf(alpha) : TURBOMOLE V6.2 6 May 2010 at 18:20:58
Copyright (C) 2010 TURBOMOLE GmbH, Karlsruhe
2010-06-22 19:55:32.289
