[Pw_forum] strange failures of cp.x with LDA+U on ibm sp6

Giuseppe Mattioli giuseppe.mattioli at mlib.ism.cnr.it
Wed Jan 12 09:26:52 CET 2011


Dear all
I'm facing some problems when running cp.x with LDA+U flags on the  
sp.sp6.cineca.it machine. The very same calculation without LDA+U performs 
very well on the same machine. The LDA+U one instead crashes very often and 
after a random (it seems random to me, at least) number of iterations. cp.x 
does not report any error message, but I found a system error that I can not 
understand

ERROR: 0031-161  EOF on socket connection with node sp0126

I can provide input files, but I suspect the error depends on LDA+U routines.

Suggestions would be appreciated...

Yours

Giuseppe Mattioli

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