Thank you for the files, I'm looking into this...
I have a very strong suspicion that this may be related to:
forum/viewtopic.php?f=2&t=18049
I guess you have not changed the "
makefile.include.linux_intel", specifically this line?
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FFLAGS = -assume byterecl -w -xHOST
According to the above forum thread you could try to replace it with
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FFLAGS = -assume byterecl -w -march=core-avx2
to restrict yourself to AVX-2 (don't use AVX-512) instruction sets. Or, alternatively,
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FFLAGS = -assume byterecl -w -xHOST -fp-model precise
could help to avoid numerical errors. Could you try whether any of this options would resolve the issues?
For testing, you can easily run ONLY the previously failed tests by setting
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export VASP_TESTSUITE_TESTS="andersen_nve_constrain_fixed andersen_nve_constrain_fixed_RPR andersen_nvt_fixed bulk_InP_SOC_G0W0_sym bulk_InP_SOC_G0W0_sym_RPR bulk_SiO2_LOPTICS bulk_SiO2_LOPTICS_RPR bulk_SiO2_LPEAD bulk_SiO2_LPEAD_RPR SiC8_GW0R Tl_x Tl_x_RPR Tl_y Tl_y_RPR Tl_z Tl_z_RPR"
before repeating the tests with
Thank you!