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4f0drlp7eyj3
Beginner
344 Views

call to ZHEGV failed

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)

 

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3 Replies
Gennady_F_Intel
Moderator
344 Views

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

4f0drlp7eyj3
Beginner
344 Views

Thanks Gennady, please see attached. 

Gennady_F_Intel
Moderator
344 Views

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

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