[Pw_forum] errors while execution. Please help

Elio Physics elio-physics at live.com
Thu Mar 20 16:38:47 CET 2014

Hello all,
(A) I have sent a few e-mails regarding some questions I have..but I got no response. Please I do not need some help in this as I tried to resolve on my own but in vain. I am trying to calculate the electron phonon coefficient lambda using matdyn.x with the option dos=.true.. I used parallel computing. However, whatever node or number of processors I use, the code generates the DOS file but stops before generating lambda.
the error in the output file is:
" Max |d(i,j)-d*(j,i)| =  0.004615     Max |d(i,j)-d*(j,i)|/|d(i,j)|: ********%     Max |d(i,j)-d*(j,i)| =  0.004615     Max |d(i,j)-d*(j,i)|/|d(i,j)|: ********%     Max |d(i,j)-d*(j,i)| =  0.004615     Max |d(i,j)-d*(j,i)|/|d(i,j)|: ********%     Max |d(i,j)-d*(j,i)| =  0.004615     Max |d(i,j)-d*(j,i)|/|d(i,j)|: ********%     Max |d(i,j)-d*(j,i)| =  0.004615     Max |d(i,j)-d*(j,i)|/|d(i,j)|: ********%rank 0 in job 1  veredas74_52575   caused collective abort of all ranks  exit status of rank 0: return code 24"
I have tried running this on my desktop (serial) ..I have copied the a2F files 51--60 and the .fc file all in one folder and when I execute matdyn.x, another error occurs:
"At line 1940 of file matdyn.f90 (unit = 61, file = 'a2Fmatdyn.61')Fortran runtime error: End of file"
with an empty a2Fmatdyn.61 file. I understood that the code is trying to read the a2F...but from where is it reading it? Is there a file other than the ones I copied into the folder?
My input is:
" &input  asr='simple',  dos=.true.,  la2F=.true.,  amass(1)=12.0107,  flfrc='elphag2ga.fc',  fldos='elphag2ga.phdos',  flfrq='elphag2ga.freq',  nk1=45, nk2=45, nk3=1,  ndos=50  /"
(B) A second fast question. For the lambda.x inout, how can I use kpoints.x to produce 13 points.?My phonon calculations have 13 phonon points in the phonon grid.
Any help would be appreciated..Thanks
Elio NahadUniversity of RondoniaBrazil

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