[Pw_forum] reading pot file
Sergey Lisenkov
proffess at yandex.ru
Thu Sep 28 01:58:37 CEST 2006
Dear all,
I am a little bit confused how to force the code read potential file in beginning of calculation. I use the next option in my input file:
startingpot='file'
But in output file I see :
....
writing wfc files to a dedicated directory
Cannot read rho : file not found
Initial potential from superposition of free atoms
starting charge 96.99814, renormalised to 98.00000
Starting wfc are atomic
total cpu time spent up to now is 10.64 secs
Self-consistent Calculation
iteration # 1 ecut= 35.00 ryd beta=0.10
Davidson diagonalization with overlap
ethr = 1.00E-05, avg # of iterations = 8.3
total cpu time spent up to now is 35.77 secs
total energy = -977.61653338 ryd
estimated scf accuracy < 12.50806875 ryd
Is it possible that this behaviour is caused by using local disks on each node and I copied *.save dir only on the first node? I am using 3.1.1 version.
Thanks,
Sergey
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