Dear siesta users and developers,
I have a problem when the scf loop seems going to be finished, the code crashed. See the following. However the same input works on another computer. So does anyone know what's going on here? I attached my arch.make. Any comment is appreciated. *************************************************************************** siesta: 106 -152559.7801 -152559.7799 -152559.8859 0.0000 -2.4612 siesta: 107 -152559.7801 -152559.7799 -152559.8859 0.0000 -2.4612 siesta: 108 -152559.7801 -152559.7800 -152559.8860 0.0000 -2.4612 siesta: 109 -152559.7801 -152559.7800 -152559.8860 0.0000 -2.4612 siesta: 110 -152559.7801 -152559.7800 -152559.8860 0.0000 -2.4612 siesta: 111 -152559.7801 -152559.7800 -152559.8860 0.0000 -2.4612 siesta: 112 -152559.7801 -152559.7800 -152559.8860 0.0000 -2.4612 siesta: 113 -152559.7801 -152559.7800 -152559.8860 0.0000 -2.4612 siesta: 114 -152559.7801 -152559.7800 -152559.8860 0.0000 -2.4612 -------------------------------------------------------------------------- orterun noticed that process rank 3 with PID 24733 on node comet-23-62 exited on signal 11 (Segmentation fault). -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: A process refused to die despite all the efforts! This process may still be running and/or consuming resources. Host: comet-23-62 PID: 24759 -------------------------------------------------------------------------- IBRUN: Job ended with value 139 Xiaoming Wang Rutgers University
arch.make
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