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Exception error with big system Date: 2006/05/18 01:48 Name: John Tse References: http://physics.usask.ca/~tsej Dear Dr. Ozaki, Whenever I tried to run a system with a large number of atoms, includig the test examples, (e.g. DIA512), I encountered an exception error after the stdout print out the following messages: . . . Num. of grids overlapping with atom 127 = 68636 Num. of grids overlapping with atom 128 = 68660 . . . I wondering what could be wrong? Best regards, John

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Re: openmx runtime questions ( No.1 ) Date: 2006/05/19 11:57 Name: T.Ozaki Hi, It can be due to the requirement of a large memory size exceeding your computational resource. The parallel execution may resolve this problem. Regards, TO

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