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compiler error with vasp 6.6.0 (vasp_gam)

Posted: Thu Mar 19, 2026 11:46 pm
by jpg

I was compiling vasp 6.6.0: it compiled std but with gam I got:

mpiifort -free -names lowercase -w -xHOST -xHOST -O2 -I/cm/shared/apps/spack/0.21.2/cpu/opt/spack/linux-rocky9-skylake_avx512/oneapi-2023.2.1/intel-oneapi-mkl-2023.2.0-o4fdd3mu3qi67dhsie646al5q6tyuppp/mkl/2023.2.0/include/fftw -c rnd_orb_mp2.f90
fpp -f_com=no -free -w0 greens_real_space.F greens_real_space.f90 -DMPI -DMPI_BLOCK=8000 -Duse_collective -DCACHE_SIZE=4000 -Davoidalloc -Duse_bse_te -Dtbdyn -Duse_shmem -Dfock_dblbuf -DHOST=\"LinuxGNU\" -Dvasp6 -DscaLAPACK -DNGZhalf -DwNGZhalf
mpiifort -free -names lowercase -w -xHOST -xHOST -O2 -I/cm/shared/apps/spack/0.21.2/cpu/opt/spack/linux-rocky9-skylake_avx512/oneapi-2023.2.1/intel-oneapi-mkl-2023.2.0-o4fdd3mu3qi67dhsie646al5q6tyuppp/mkl/2023.2.0/include/fftw -c greens_real_space.f90
#0 0x00000000021c51e2
#1 0x0000000002228e97
#2 0x0000000002228fc0
#3 0x000015555503fc30
#4 0x0000000001fa57a5
#5 0x0000000001fd16f8
#6 0x0000000001fca483
#7 0x0000000001fa63e6
#8 0x0000000001fc554e
#9 0x0000000001fa65e2
#10 0x0000000001fd133a
#11 0x0000000001fc9427
#12 0x0000000001fa633b
#13 0x0000000001fa2df1
#14 0x0000000001fa20ea
#15 0x00000000020223dd
#16 0x000000000220e781
#17 0x0000000002111066
#18 0x00000000022e13ce
#19 0x000015555502a610
#20 0x000015555502a6c0 __libc_start_main + 128
#21 0x0000000001f51aa9

greens_real_space.f90: error #5633: **Internal compiler error: segmentation violation signal raised** Please report this error along with the circumstances in which it occurred in a Software Problem Report. Note: File and line given may not be explicit cause of this error.
compilation aborted for greens_real_space.f90 (code 3)
make[2]: *** [makefile:195: greens_real_space.o] Error 3

This is with intel oneapi 2023.2.1 and intel-oneapi-mpi 2021.10.0 on a rocky 9 cluster


Re: compiler error with vasp 6.6.0 (vasp_gam)

Posted: Fri Mar 20, 2026 8:57 am
by henrique_miranda

Thanks for trying the latest version of VASP.

This looks like a compiler issue.
If you can use different versions of the intel compilers you can have a look here for the versions we are currently using for our internal testing:
https://www.vasp.at/wiki/Toolchains

If you don't want to use another toolchain you might try adding:
SOURCE_O1 := greens_real_space.o
in your makefile.include.

If that still does not work you can try removing all instances of -xHOST from your makefile.include.
I hope this helps. Let me know.


Re: compiler error with vasp 6.6.0 (vasp_gam)

Posted: Sat Mar 21, 2026 8:35 pm
by jpg

I got rid of -xHOST and set -O0 and it still gave the same error

Jerry


Re: compiler error with vasp 6.6.0 (vasp_gam)

Posted: Mon Mar 23, 2026 2:27 pm
by henrique_miranda

Is there any way you can try using a more recent Intel compiler?
Does the issue persist?


Re: compiler error with vasp 6.6.0 (vasp_gam)

Posted: Mon Mar 23, 2026 5:48 pm
by jpg

I'll give that a try

Jerry