[Pw_forum] Matdyn.x error

Elio Physics elio-physics at live.com
Tue Mar 18 15:41:40 CET 2014


Dear all, 
When I apply matdyn.x with dos=.true. and la2F=.true.,the calculations start but then the code stops with the error (without outputting the value of lambda!)
"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  veredas44_36139   caused collective abort of all ranks  exit status of rank 0: killed by signal 9"
Is that error related to the input of the matdyn file or is it due to something else?
I use espresso 5.0.1 and the input of the matdyn file is:
&input  asr='simple',  dos=.true.,  la2F=.true.,  amass(1)=12.0107,  flfrc='elphag2ga.fc',  flfrq='elphag2ga.freq',  fldos='elphag2ga.phdos',  nk1=120 nk2=120 nk3=1,  ndos=100  /
Thanks in advance 		 	   		  
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