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yaoming_019
Journeyman III

vasp-5.4.4-aocc4.0-aocl4.0-openmpi4.1.4-zen2-rocky8.6 running error

Hello everyone,

I compile vasp-5.4.4 with aocc4.0 and openmpi4.1.4 on amd-zen2-rocky8.6 platform,and as suggested my config file is:

        CPP        = flang -E -P -C -w -Mfree $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS)

        FC         = mpif90 -fopenmp

        FCL        = mpif90 -fopenmp

        FREE       = -ffree-form -ffree-line-length-none

        FFLAGS     = -w -march=znver3 -fno-fortran-main $(CPP_OPTIONS) -Mbackslash -ffunc-args-alias

But when I run the single-process calculation example, the following error occurs:

[gb1703:452077:0:452077] Caught signal 11 (Segmentation fault: Sent by the kernel at address (nil))
==== backtrace (tid: 452077) ====
0 0x0000000000012ce0 __funlockfile() :0
1 0x000000000126c540 dlansy_() ???:0
2 0x0000000001270100 dsyev_() ???:0
3 0x00000000007db995 diag_and_sort() /public1/home/yaoming/vasp-src/vasp.5.4.4/build/std/paw.f90:257
4 0x00000000007db995 set_opt_proj() /public1/home/yaoming/vasp-src/vasp.5.4.4/build/std/paw.f90:225
5 0x00000000007db995 set_paw_aug() /public1/home/yaoming/vasp-src/vasp.5.4.4/build/std/paw.f90:112
6 0x0000000000f9586f MAIN_() /public1/home/yaoming/vasp-src/vasp.5.4.4/build/std/main.f90:669
7 0x0000000002191403 main() /home/amd/JENKINS/workspace/AOCC_4_0_0_INTERIM/flang/runtime/flangmain/flangmain.c:59
8 0x000000000003aca3 __libc_start_main() ???:0
9 0x000000000058e64e _start() ???:0
=================================
[gb1703:452077] *** Process received signal ***
[gb1703:452077] Signal: Segmentation fault (11)
[gb1703:452077] Signal code: (-6)
[gb1703:452077] Failing at address: 0xa3b0006e5ed
[gb1703:452077] [ 0] /usr/lib64/libpthread.so.0(+0x12ce0)[0x147ca9328ce0]
[gb1703:452077] [ 1] ../vasp-src/vasp.5.4.4/bin/vasp_std[0x126c540]
[gb1703:452077] [ 2] ../vasp-src/vasp.5.4.4/bin/vasp_std[0x1270100]
[gb1703:452077] [ 3] ../vasp-src/vasp.5.4.4/bin/vasp_std[0x7db995]
[gb1703:452077] [ 4] ../vasp-src/vasp.5.4.4/bin/vasp_std[0xf9586f]
[gb1703:452077] [ 5] ../vasp-src/vasp.5.4.4/bin/vasp_std[0x2191403]
[gb1703:452077] [ 6] /usr/lib64/libc.so.6(__libc_start_main+0xf3)[0x147ca8d73ca3]
[gb1703:452077] [ 7] ../vasp-src/vasp.5.4.4/bin/vasp_std[0x58e64e]
[gb1703:452077] *** End of error message ***

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