[Pw_forum] QE in parallel mode

[Masoud Shahrokhi]

Dear QE users,
I am trying to execute QE in parallel mode. My operation system is
CentOs 5.6. First of all I installed Openmpi-1.6.5, and then I
compiled QE 4.3.2 with ifort 11.1. When I execute QE in single mode
there is no problem but when I execute it in parallel mode I face with
this error:
 forrtl: No such file or directory
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image              PC                Routine            Line
Source
pw.x               00000000008EDC3D  Unknown               Unknown  Unknown
pw.x               00000000008EC745  Unknown               Unknown  Unknown
pw.x               00000000008844F9  Unknown               Unknown  Unknown
pw.x               000000000081A11D  Unknown               Unknown  Unknown
pw.x               000000000081996A  Unknown               Unknown  Unknown
pw.x               0000000000811361  Unknown               Unknown  Unknown
pw.x               000000000051E229  buffers_mp_close_         212
buffers.f90
pw.x               0000000000536839  close_files_               34
close_files.f90
pw.x               00000000004BB87D  stop_run_                  50
stop_run.f90
pw.x               000000000040589F  MAIN__                    214
pwscf.f90
pw.x               000000000040543C  Unknown               Unknown  Unknown
libc.so.6          000000327E41D994  Unknown               Unknown  Unknown
pw.x               0000000000405349  Unknown               Unknown  Unknown
forrtl: No such file or directory
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image              PC                Routine            Line
Source
pw.x               00000000008EDC3D  Unknown               Unknown  Unknown
pw.x               00000000008EC745  Unknown               Unknown  Unknown
pw.x               00000000008844F9  Unknown               Unknown  Unknown
pw.x               000000000081A11D  Unknown               Unknown  Unknown
pw.x               000000000081996A  Unknown               Unknown  Unknown
pw.x               0000000000811361  Unknown               Unknown  Unknown
pw.x               000000000051E229  buffers_mp_close_         212
buffers.f90
pw.x               0000000000536839  close_files_               34
close_files.f90
pw.x               00000000004BB87D  stop_run_                  50
stop_run.f90
pw.x               000000000040589F  MAIN__                    214
pwscf.f90
pw.x               000000000040543C  Unknown               Unknown  Unknown
libc.so.6          000000327E41D994  Unknown               Unknown  Unknown
pw.x               0000000000405349  Unknown               Unknown  Unknown
forrtl: No such file or directory
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image              PC                Routine            Line
Source
pw.x               00000000008EDC3D  Unknown               Unknown  Unknown
pw.x               00000000008EC745  Unknown               Unknown  Unknown
pw.x               00000000008844F9  Unknown               Unknown  Unknown
pw.x               000000000081A11D  Unknown               Unknown  Unknown
pw.x               000000000081996A  Unknown               Unknown  Unknown
pw.x               0000000000811361  Unknown               Unknown  Unknown
pw.x               000000000051E229  buffers_mp_close_         212
buffers.f90
pw.x               0000000000536839  close_files_               34
close_files.f90
pw.x               00000000004BB87D  stop_run_                  50
stop_run.f90
pw.x               000000000040589F  MAIN__                    214
pwscf.f90
pw.x               000000000040543C  Unknown               Unknown  Unknown
libc.so.6          000000327E41D994  Unknown               Unknown  Unknown
pw.x               0000000000405349  Unknown               Unknown  Unknown
------------------------------
--------------------------------------------
mpirun noticed that the job aborted, but has no info as to the process
that caused that situation.
--------------------------------------------------------------------------


My input file is:
&CONTROL
    calculation = 'scf',
    restart_mode='from_scratch',
    prefix='pir',
    outdir= '/root/run-espresso/SiH4',
    pseudo_dir= '/root/run-espresso/SiH4',
    wf_collect = .true.
 /
 &SYSTEM
                   ibrav = 0,
                   celldm(1) = 35.0,
                         nat = 5,
                        ntyp = 2,
                     ecutwfc = 25,
                       nspin = 1
                      occupations='fixed'
                       nosym = .true. ,
                      nbnd = 40,

 /
 &ELECTRONS
          electron_maxstep = 50,
          mixing_mode = 'plain',
          mixing_beta = 0.3,
          conv_thr = 1.d-6
 /
ATOMIC_SPECIES
    Si   28.08  Si.pz-vbc.UPF
    H    1.008  H.pz-vbc.UPF
ATOMIC_POSITIONS (angstrom)
Si      0.000000000     0.000000000     0.0000000000
H       0.000000000     1.489000000     0.0000000000
H       0.000000000     -0.496363243    -1.403832088
H       -1.21575425     -0.496363243    0.701916043
H       1.21575425      -0.496363243    0.701916043
CELL_PARAMETERS cubic
     1.000000000    0.000000000    0.000000000
     0.000000000    1.000000000    0.000000000
     0.000000000    0.000000000    1.000000000
K_POINTS crystal
    1
    0.00000     0.00000     0.00000     1.0000000


Also I repeated this calculation with QE 5.0.2. But this error still exists.
What should I do?
Please let me know!
Thanks in advance
Masoud Shahrokhi, PhD
Razi University. Iran
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