[QE-users] QE crashing right after "Starting wfcs"
Luis Cebamanos
lcebamanos at lenovo.com
Mon Aug 14 14:08:03 CEST 2023
Hello,
I am trying to find out why QE crashes right after printing out the following:
number of k points= 1
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 2.0000000
Dense grid: 27637241 G-vectors FFT dimensions: ( 540, 540, 540)
Smooth grid: 9771712 G-vectors FFT dimensions: ( 375, 375, 375)
Estimated max dynamical RAM per process > 4.42 GB
Estimated total dynamical RAM > 1125.78 GB
Initial potential from superposition of free atoms
starting charge 5231.9496, renormalised to 5232.0000
negative rho (up, down): 6.436E-01 0.000E+00
Starting wfcs are 5168 randomized atomic wfcs
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 13 PID 220321 RUNNING AT maryland
= KILLED BY SIGNAL: 9 (Killed)
===================================================================================
I cannot see anything in the logs and I can run well on a different SKU with less cores/node. How could I get a bit more info about this crash? Is there a way to find out what the problem could be?
Regards,
Chris
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