[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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Giuseppe Mattioli
CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
v. Salaria Km 29,300 - C.P. 10
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E-mail: <giuseppe.mattioli at ism.cnr.it>
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