segmentation fault for vasp 6.3.2 in running process

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suojiang_zhang1
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segmentation fault for vasp 6.3.2 in running process

#1 Post by suojiang_zhang1 » Wed Sep 28, 2022 1:00 am

Dear ,
I am using the vasp6.3.2 for the ML_FF.
Due to the memory limitation, I hope to use the shared memory model. I compiled the version by -Duse_shmem and makefile.include looks like:
CPP_OPTIONS = -DHOST=\"LinuxIFC\" \
-DMPI -DMPI_BLOCK=8000 -Duse_collective \
-DscaLAPACK \
-DCACHE_SIZE=4000 \
-Davoidalloc \
-Dvasp6 \
-Duse_bse_te \
-Dtbdyn \
-Dfock_dblbuf \
-Duse_shmem

CPP = fpp -f_com=no -free -w0 $*$(FUFFIX) $*$(SUFFIX) $(CPP_OPTIONS)

FC = mpiifort
FCL = mpiifort -mkl=cluster -lstdc++[/size]
the compiling is finished succussfully by intel-2018 compiler.

However, when I running my calculation and only one SCF is stoped
...
DAV: 17 -0.836674146553E+03 0.12198E-04 -0.12920E-03 928 0.535E-02 0.639E-02
DAV: 18 -0.836674125056E+03 0.21498E-04 -0.79180E-05 656 0.141E-02
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
vasp_std 0000000001C90BFD Unknown Unknown Unknown
libpthread-2.17.s 0000003F71A0F130 Unknown Unknown Unknown
vasp_std 0000000000C10D67 Unknown Unknown Unknown
vasp_std 0000000001C35203 Unknown Unknown Unknown
vasp_std 000000000040BC3E Unknown Unknown Unknown
libc-2.17.so 0000003D32621B45 __libc_start_main Unknown Unknown
vasp_std 000000000040BB69 Unknown Unknown Unknown

please give me some advices for the vasp 6.3.2.

martin.schlipf
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Posts: 542
Joined: Fri Nov 08, 2019 7:18 am

Re: segmentation fault for vasp 6.3.2 in running process

#2 Post by martin.schlipf » Fri Sep 30, 2022 7:31 am

Did you follow the installation instructions?

If so, which makefile.include from the arch directory did you use? What modifications did you do to it?

Did you run the testsuite successfully?

Martin Schlipf
VASP developer


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