call to ZHEGV failed

4f0drlp7eyj3 — Tue, 14 Apr 2020 15:29:42 GMT

Hello,

I am troubleshooting a warning from the VASP plane-wave electronic structure code. The application version is 5.4.4 built against Scalapack.

The warning is of the form

WARNING in EDDRMM: call to ZHEGV failed, returncode =   6  3     16

With the test case I have, the returncode can also be "8 4 16".

Operating system and version: CentOS 7.4
Library version: MKL 2019.5
Compiler version: Intel 2019.5 mpiifort
GNU Compiler Collection (GCC)* or Microsoft Visual Studio* version (if applicable): GCC 8.2.0 (underneath the Intel installation)
Steps to reproduce the error (include makefiles, command lines, small test cases, and build instructions): I can send our makefile.include and input deck under separate cover if required.
Working compiler, tool, or library version, and accelerator driver version (for regressions): The warning has been seen since Intel Parallel Studio 2018 and perhaps earlier.

MKL ldd links:

	libmkl_intel_lp64.so => /nopt/nrel/apps/compilers/intel/2019.5/mkl/lib/intel64/libmkl_intel_lp64.so (0x00007fd8ee5d6000)
	libmkl_cdft_core.so => /nopt/nrel/apps/compilers/intel/2019.5/mkl/lib/intel64/libmkl_cdft_core.so (0x00007fd8ee3ae000)
	libmkl_scalapack_lp64.so => /nopt/nrel/apps/compilers/intel/2019.5/mkl/lib/intel64/libmkl_scalapack_lp64.so (0x00007fd8edaa5000)
	libmkl_blacs_intelmpi_lp64.so => /nopt/nrel/apps/compilers/intel/2019.5/mkl/lib/intel64/libmkl_blacs_intelmpi_lp64.so (0x00007fd8ed863000)
	libmkl_sequential.so => /nopt/nrel/apps/compilers/intel/2019.5/mkl/lib/intel64/libmkl_sequential.so (0x00007fd8ec24a000)
	libmkl_core.so => /nopt/nrel/apps/compilers/intel/2019.5/mkl/lib/intel64/libmkl_core.so (0x00007fd8e7f18000)
	libiomp5.so => /nopt/nrel/apps/compilers/intel/2019.5/compilers_and_libraries_2019.5.281/linux/compiler/lib/intel64/libiomp5.so (0x00007fd8e7b23000)

at the first stage having the

Gennady_F_Intel — Tue, 14 Apr 2020 15:39:31 GMT

at the first stage having the small test case would be enough for us to start looking at this case.

Thanks Gennady, please see

4f0drlp7eyj3 — Tue, 14 Apr 2020 15:52:26 GMT

Thanks Gennady, please see attached.

This tar.gz doesn't contain

Gennady_F_Intel — Wed, 15 Apr 2020 02:19:58 GMT

This tar.gz doesn't contain code in which we could compile, execute and validate the problem on my part.

topic at the first stage having the in Intel® oneAPI Math Kernel Library

call to ZHEGV failed

at the first stage having the

Thanks Gennady, please see

This tar.gz doesn't contain