<div dir="ltr">Dear QE users,<br>
I am trying to execute QE in parallel mode. My operation system is<br>
CentOs 5.6. First of all I installed Openmpi-1.6.5, and then I<br>
compiled QE 4.3.2 with ifort 11.1. When I execute QE in single mode<br>
there is no problem but when I execute it in parallel mode I face with<br>
this error:<br>
 forrtl: No such file or directory<br>
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"<br>
Image              PC                Routine            Line<br>
Source<br>
pw.x               00000000008EDC3D  Unknown               Unknown  Unknown<br>
pw.x               00000000008EC745  Unknown               Unknown  Unknown<br>
pw.x               00000000008844F9  Unknown               Unknown  Unknown<br>
pw.x               000000000081A11D  Unknown               Unknown  Unknown<br>
pw.x               000000000081996A  Unknown               Unknown  Unknown<br>
pw.x               0000000000811361  Unknown               Unknown  Unknown<br>
pw.x               000000000051E229  buffers_mp_close_         212  buffers.f90<br>
pw.x               0000000000536839  close_files_               34<br>
close_files.f90<br>
pw.x               00000000004BB87D  stop_run_                  50<br>
stop_run.f90<br>
pw.x               000000000040589F  MAIN__                    214  pwscf.f90<br>
pw.x               000000000040543C  Unknown               Unknown  Unknown<br>
libc.so.6          000000327E41D994  Unknown               Unknown  Unknown<br>
pw.x               0000000000405349  Unknown               Unknown  Unknown<br>
forrtl: No such file or directory<br>
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"<br>
Image              PC                Routine            Line<br>
Source<br>
pw.x               00000000008EDC3D  Unknown               Unknown  Unknown<br>
pw.x               00000000008EC745  Unknown               Unknown  Unknown<br>
pw.x               00000000008844F9  Unknown               Unknown  Unknown<br>
pw.x               000000000081A11D  Unknown               Unknown  Unknown<br>
pw.x               000000000081996A  Unknown               Unknown  Unknown<br>
pw.x               0000000000811361  Unknown               Unknown  Unknown<br>
pw.x               000000000051E229  buffers_mp_close_         212  buffers.f90<br>
pw.x               0000000000536839  close_files_               34<br>
close_files.f90<br>
pw.x               00000000004BB87D  stop_run_                  50<br>
stop_run.f90<br>
pw.x               000000000040589F  MAIN__                    214  pwscf.f90<br>
pw.x               000000000040543C  Unknown               Unknown  Unknown<br>
libc.so.6          000000327E41D994  Unknown               Unknown  Unknown<br>
pw.x               0000000000405349  Unknown               Unknown  Unknown<br>
forrtl: No such file or directory<br>
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"<br>
Image              PC                Routine            Line<br>
Source<br>
pw.x               00000000008EDC3D  Unknown               Unknown  Unknown<br>
pw.x               00000000008EC745  Unknown               Unknown  Unknown<br>
pw.x               00000000008844F9  Unknown               Unknown  Unknown<br>
pw.x               000000000081A11D  Unknown               Unknown  Unknown<br>
pw.x               000000000081996A  Unknown               Unknown  Unknown<br>
pw.x               0000000000811361  Unknown               Unknown  Unknown<br>
pw.x               000000000051E229  buffers_mp_close_         212  buffers.f90<br>
pw.x               0000000000536839  close_files_               34<br>
close_files.f90<br>
pw.x               00000000004BB87D  stop_run_                  50<br>
stop_run.f90<br>
pw.x               000000000040589F  MAIN__                    214  pwscf.f90<br>
pw.x               000000000040543C  Unknown               Unknown  Unknown<br>
libc.so.6          000000327E41D994  Unknown               Unknown  Unknown<br>
pw.x               0000000000405349  Unknown               Unknown  Unknown<br>
------------------------------<div id=":12t" class="">--------------------------------------------<br>
mpirun noticed that the job aborted, but has no info as to the process<br>
that caused that situation.<br>
--------------------------------------------------------------------------<br>
<br>
<br>
My input file is:<br>
&CONTROL<br>
    calculation = 'scf',<br>
    restart_mode='from_scratch',<br>
    prefix='pir',<br>
    outdir= '/root/run-espresso/SiH4',<br>
    pseudo_dir= '/root/run-espresso/SiH4',<br>
    wf_collect = .true.<br>
 /<br>
 &SYSTEM<br>
                   ibrav = 0,<br>
                   celldm(1) = 35.0,<br>
                         nat = 5,<br>
                        ntyp = 2,<br>
                     ecutwfc = 25,<br>
                       nspin = 1<br>
                      occupations='fixed'<br>
                       nosym = .true. ,<br>
                      nbnd = 40,<br>
<br>
 /<br>
 &ELECTRONS<br>
          electron_maxstep = 50,<br>
          mixing_mode = 'plain',<br>
          mixing_beta = 0.3,<br>
          conv_thr = 1.d-6<br>
 /<br>
ATOMIC_SPECIES<br>
    Si   28.08  Si.pz-vbc.UPF<br>
    H    1.008  H.pz-vbc.UPF<br>
ATOMIC_POSITIONS (angstrom)<br>
Si      0.000000000     0.000000000     0.0000000000<br>
H       0.000000000     1.489000000     0.0000000000<br>
H       0.000000000     -0.496363243    -1.403832088<br>
H       -1.21575425     -0.496363243    0.701916043<br>
H       1.21575425      -0.496363243    0.701916043<br>
CELL_PARAMETERS cubic<br>
     1.000000000    0.000000000    0.000000000<br>
     0.000000000    1.000000000    0.000000000<br>
     0.000000000    0.000000000    1.000000000<br>
K_POINTS crystal<br>
    1<br>
    0.00000     0.00000     0.00000     1.0000000<br>
<br>
<br>
Also I repeated this calculation with QE 5.0.2. But this error still exists.<br>
What should I do?<br>
Please let me know!<br>
Thanks in advance<br>
Masoud Shahrokhi, PhD<br>
Razi University. Iran<br>
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