GROMACS 2021+ fails to compile with Intel compiler 19.1

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1

GROMACS version: 2021+
GROMACS modification: No

Compiler version:

$ icpc --version
icpc (ICC) 19.1.3.304 20200925
Copyright (C) 1985-2020 Intel Corporation.  All rights reserved.

Build steps:

$ cmake -DCMAKE_C_COMPILER=icc -DCMAKE_CXX_COMPILER=icpc        \
        -DCMAKE_INSTALL_PREFIX=/usr/local -DGMX_FFT_LIBRARY=mkl \
        -DGMX_MPI=OFF -DGMX_THREAD_MPI=ON -DGMX_GPU=CUDA        \
        -DGMX_HWLOC=ON -DCMAKE_VERBOSE_MAKEFILE=ON -DCUDA_VERBOSE_BUILD=ON ../
$ cmake --build .

When trying to compile src/gromacs/applied_forces/awh/biasstate.cpp the following error occurs:

In file included from /usr/local/src/gromacs-2021/src/gromacs/applied_forces/awh/biasgrid.h(61),
                 from /usr/local/src/gromacs-2021/src/gromacs/applied_forces/awh/bias.h(62),
                 from /usr/local/src/gromacs-2021/src/gromacs/applied_forces/awh/awh.cpp(78):
/usr/local/src/gromacs-2021/src/gromacs/applied_forces/awh/dimparams.h(114): error: no instance of constructor "gmx::DimParams::DimParams" matches the argument list
            argument types are: (double, gmx::DimParams::PullDimParams)
          return DimParams(conversionFactor, pullDimParams);
                 ^
/usr/local/src/gromacs-2021/src/gromacs/applied_forces/awh/dimparams.h(72): note: this candidate was rejected because mismatch in count of arguments
  struct DimParams
         ^
/usr/local/src/gromacs-2021/src/gromacs/applied_forces/awh/dimparams.h(72): note: this candidate was rejected because mismatch in count of arguments
  struct DimParams
         ^
/usr/local/src/gromacs-2021/src/gromacs/applied_forces/awh/dimparams.h(95): note: this candidate was rejected because arguments do not match
      DimParams(double conversionFactor, std::variant<PullDimParams, FepDimParams> dimParams) :

gcc and clang both compile this fine as does icc 2021.1+ . So it seems likely that this is a bug with intel compiler 19.1. Minimal-ish example to reproduce the issue with awh/dimparams.h with icc 19.1

Just thought I’d report this here incase it helps anyone else stumbling across the same problem in future.