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Segmentation fault with version 3.9.2
Date: 2020/10/14 01:00
Name: Mauro Sgroi

Dear developers,
I'm running a calculation on graphene with the version 3.9.2 of Openmx.

The calculation crashes with the following error:


t18node063:21667:0:21667] Caught signal 11 (Segmentation fault: address not mapped to object at address 0xffffffff965206c8)
==== backtrace (tid: 21667) ====
0 0x0000000000071497 MPI_Comm_size() ???:0
1 0x000000000002a63a MKLMPI_Comm_size() ???:0
2 0x000000000052a38c PB_CpgemmMPI() ???:0
3 0x000000000058f6f7 pdgemm_() ???:0
4 0x00000000004e6447 Cluster_DFT_Col() ???:0
5 0x00000000004605cf DFT() ???:0
6 0x00000000004067f8 main() ???:0
7 0x00000000000223d5 __libc_start_main() ???:0
8 0x00000000004070cc _start() ???:0
=================================

I'm attaching here my input file:


https://drive.google.com/file/d/1agU33Yo3tgFG5CSUpWqFb1AdJQddVBGi/view?usp=sharing


Could you please help me to understand the source of the problem?

Is it related to the MPI or Scalapack libraries?

I'm using Openmpi and netlib scalapack.

Thanks a lot and best regards,
Mauro Sgroi.
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Re: Segmentation fault with version 3.9.2 ( No.1 )
Date: 2020/10/14 13:01
Name: Naoya Yamaguchi

Dear Mauro,

Your input worked well and there might be problems of linkage of MPI libraries. You might solve it by checking and tidying such libraries.

Regards,
Naoya Yamaguchi
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Re: Segmentation fault with version 3.9.2 ( No.2 )
Date: 2020/10/14 16:45
Name: Mauro Sgroi

Dear Naoya,
thanks a lot.
We are checking the MPI library.
Best regards,
Mauro.
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