I have an error in output file for scf calculation,?
? ? ? ? ?k( ? 24) = ( ?-0.4285714 ? 0.4123930 ? 0.0000000), wk = ? 0.0816327
? ? ? ? ?k( ? 25) = ( ?-0.4285714 ?-0.0824786 ? 0.0000000), wk = ? 0.0816327
? ? ? ? ?G cutoff = ? 83.6540 ?( ?23611 G-vectors) ? ? FFT grid: ( 20, 20,160)
? ? ? ? ?G cutoff = ? 57.9143 ?( ?13733 G-vectors) ?smooth grid: ( 15, 15,135)
? ? ? ? ?rank 3 in job 24 ?mzmr-desktop_51851 ? caused collective abort of all
ranks
? ? ? ? ?exit status of rank 3: killed by signal 11?
how can i fix this error?
I think it appear from wrong ?k_point? and ?ecutwfc?.
The following is a k_point and ecutwfc:
? ? ? ? ? ecutwfc =50 ,
? ? ? ? ? ecutrho = 300 ,
? ? ? ? ? K_POINTS {automatic}
? ? ? ? ? 7 ?6 ?1 ? ? 0 ?0 ?0
Can anyone help me?
Thanks in advance.
?
Mahdi Faghih nasiri
MSC,
Guilan University,
Rasht, Iran.
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