[Octopus-users] octopus_mpi error

[bjnagare]

Dear OCTOPUS user,

When I tried to run octopus in parallel mode, Following error occurs;



<><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><>
                    Running octopus, version 3.0.1
              build time - Wed May 27 12:37:55 IST 2009
            svn revision: 3676 [multicomm.F90 2008-02-11]
                   Compiler: /opt/hpmpi/bin/mpif90
                          Compiler flags: -O
             The octopus is swimming in UCCompute (Linux)

            Calculation started on 2009/05/30 at 11:27:56

************************** Calculation Mode **************************
Input: [CalculationMode = go]
**********************************************************************
forrtl: severe (59): list-directed I/O syntax error, unit 10, file
/opt/etsf/share/octopus/PP/defaults
Image              PC        Routine            Line
Source
libirc.so          B743230F  Unknown               Unknown  Unknown
libirc.so          B74318B9  Unknown               Unknown  Unknown
forrtl: severe (59): list-directed I/O syntax error, unit 10, file
/opt/etsf/share/octopus/PP/defaults
libifcore.so.5     B7500FA0  Unknown               Unknown  Unknown
libifcore.so.5     B74990CD  Unknown               Unknown  Unknown
libifcore.so.5     B7498CFD  Unknown               Unknown  Unknown
libifcore.so.5     B74C4B4A  Unknown               Unknown  Unknown
Image              PC        Routine            Line
Source
octopus_mpi        0827AF14  Unknown               Unknown  Unknown
libirc.so          B73F130F  Unknown               Unknown  Unknown
octopus_mpi        08279820  Unknown               Unknown  Unknown
libirc.so          B73F08B9  Unknown               Unknown  Unknown
octopus_mpi        0827E3C0  Unknown               Unknown  Unknown
libifcore.so.5     B74BFFA0  Unknown               Unknown  Unknown
octopus_mpi        0827D185  Unknown               Unknown  Unknown
libifcore.so.5     B74580CD  Unknown               Unknown  Unknown
octopus_mpi        08061C72  Unknown               Unknown  Unknown
libifcore.so.5     B7457CFD  Unknown               Unknown  Unknown
octopus_mpi        0804E051  Unknown               Unknown  Unknown
libifcore.so.5     B7483B4A  Unknown               Unknown  Unknown
libc.so.6          00666DEC  Unknown               Unknown  Unknown
octopus_mpi        0827AF14  Unknown               Unknown  Unknown
octopus_mpi        0804DF91  Unknown               Unknown  Unknown
octopus_mpi        08279820  Unknown               Unknown  Unknown
octopus_mpi        0827E3C0  Unknown               Unknown  Unknown
octopus_mpi        0827D185  Unknown               Unknown  Unknown
octopus_mpi        08061C72  Unknown               Unknown  Unknown
octopus_mpi        0804E051  Unknown               Unknown  Unknown
libc.so.6          00666DEC  Unknown               Unknown  Unknown
octopus_mpi        0804DF91  Unknown               Unknown  Unknown
MPI Application rank 0 exited before MPI_Finalize() with status 59

 input file:

CalculationMode = go
Units = ev_Angstrom
FromScratch = yes
sodium_mass=22.99
sodium_z=11
%Species
 'sodium' | sodium_mass | sodium_z
%
XYZCoordinates='adjusted.xyz'
BoxShape = sphere
Radius  = 21.0
Spacing = 0.3
XCFunctional = gga_x_pbe + gga_c_pbe
GOMaxIter = 300
GOMethod = cg_bfgs
GOStep = 0.5
GOTolerence= 0.001
GOWhat2Minimize= minimize_energy
ConvAbsDens = 1e-6

Can you help me to solve this problem.

-- 
Thanking you,

With Best Regards,

Nagare


------------------------------------------
Dr. Balasaheb. J. Nagare
Lecturer in Physics,
Department of Physics,
University of Mumbai,
Santacruz(E), Mumbai-98
Mobile:9869194709
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