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Post complilation problem Date: 2012/07/23 07:14 Name: Mosahhar   <mosahar_bagheri@yahoo.com> Dear openmx developers and users I have installed openmx 3.6 on one unit with 2*12 core AMD Opteron with no errors and warnings but when I run a test (for example Methane case), I face the following error message: Assertion failed in file ch3u_buffer.c at line 77: FALSE memcpy argument memory ranges overlap, dst_=0x3896070 src_=0x3896070 len_=64 internal ABORT - process 0 I'm completely confused! Any help is appreciated. Mosahhar

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Re: Post complilation problem ( No.1 ) Date: 2012/07/25 00:39 Name: T.Ozaki Hi, The error message suggests that the source and the target have a same process ID during MPI communication. In fact, such a MPI communication is performed at some of parts in OpenMX. At this moment, only the way to resolve the problem is to use a MPI library allowing us to perform the sort of MPI communication. Regards, TO Re: Post complilation problem ( No.2 ) Date: 2012/07/25 05:51 Name: Mosahhar  <mosahar_bagheri@yahoo.com> Dear professor Ozaki, Thank you for the reply, however, how could I solve the problem? I have compiled openmx with MPICH2, as in the openmx installation guide. As a second question, Can I link libxc code to openmx to use its functionals? Best regards Mosahhar

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