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Dear all</div>
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I am trying to to get the phonon dispersion using the image technique. I am running:</div>
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1)the scf with 'np' processors and npools=2</div>
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<span>2) the phonosn with 2*np processors (2=number of images), nimage=2 and npools=2</span></div>
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<span>3) the last step with np processors and no images with the option recover=.true. in the ph file.<br>
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<span>The PBS script looks like:</span></div>
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<div>#PBS -l select=16:ncpus=16:mpiprocs=8 (scf)</div>
<div><span>#PBS -l select=16:ncpus=16:mpiprocs=16 (ph)</span><br>
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<div>#mpirun -hostfile $PBS_NODEFILE pw.x -npool 2 < mos2-bulk.scfeq.in > scfeq-coarse.out</div>
<div>mpirun -hostfile $PBS_NODEFILE ph.x -npool 2 -nimage 2 < mos2-bulk.ph.in > ph-1.out</div>
<div>#mpirun -hostfile $PBS_NODEFILE ph.x -npool 2 < mos2-bulk.ph-recover.in > ph-recover.out</div>
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<div>As a test, my dispersion grid has 2 q-points (each having 18 irreducible representations). The second step ran smoothly and an out_1.0 file has been produced. However the last step failed. The 'dyn' file of the second q point whose calculations were divided
into two parts was empty. When opening the ph-recover.out file, there was the message:</div>
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<div>read_file_new: Wavefunctions not in collected format?!?
<div> read_file: Wavefunctions in collected format not available</div>
<div> end of file reached, closing tag not found</div>
<div>warning: file closed at level 1 with tag Root open</div>
<span> end of file reached, tag Root not found</span><br>
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<div>The error file displayed the message : Fortran runtime error: Sequential READ or WRITE not allowed after EOF marker, possibly use REWIND or BACKSPACE. Can anyone guess what went wrong?</div>
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<div>Regards</div>
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<div>Elie Moujaes</div>
<div>Federal Unversity of Rondonia</div>
<div>Brasil</div>
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