# Spack Build Error Message with nvhpc compiler
**URL:** https://gromacs.bioexcel.eu/t/spack-build-error-message-with-nvhpc-compiler/8968
**Category:** User discussions
**Created:** [April 23, 2024, 3:09pm UTC](https://gromacs.bioexcel.eu/t/spack-build-error-message-with-nvhpc-compiler/8968 "2024-04-23T15:09:36Z")
**Posts on this page:** 2
**Page:** 1
### Author:  [@br-kolgu](https://gromacs.bioexcel.eu/u/br-kolgu)
#### Post date: [April 23, 2024, 3:09pm UTC](https://gromacs.bioexcel.eu/t/spack-build-error-message-with-nvhpc-compiler/8968/1 "2024-04-23T15:09:36Z")
GROMACS version: 2023.2
GROMACS modification: No
Here post your question
Hi,
I am trying to build gromacs with spack ( spack install gromacs%nvhpc +mpi +cuda cuda\_arch={cuda\_arch} +cufftmp) and I have tried nvhpc 23.5 and 24.3 versions and it didn’t build. I am getting the following error message during the build stage :
```auto
==> Installing gromacs-2023.2-egcf5t2p57er6f3ix6ihkxt5wuydprml [30/30]
==> No binary for gromacs-2023.2-egcf5t2p57er6f3ix6ihkxt5wuydprml found: installing from source
==> Using cached archive: /lustre/home/br-kolgu/spack/var/spack/cache/_source-cache/archive/bc/bce1480727e4b2bb900413b75d99a3266f3507877da4f5b2d491df798f9fcdae.tar.gz
==> Ran patch() for gromacs
==> gromacs: Executing phase: 'cmake'
==> gromacs: Executing phase: 'build'
==> Error: ProcessError: Command exited with status 2:
'make' '-j16'
3 errors found in build log:
422 NVC++-S-0000-Internal compiler error. c++ specific feature not expected 1 (/tmp/br-kolgu/spack-stage/spack-stage-gromacs-2023.2-egcf5t2p57er6f3ix6ihkxt5wuydprml/spack-src/src/exte
rnal/muparser/src/muParserBase.cpp: 1881)
423 NVC++-S-0000-Internal compiler error. mkexpr: bad id -9808 (/tmp/br-kolgu/spack-stage/spack-stage-gromacs-2023.2-egcf5t2p57er6f3ix6ihkxt5wuydprml/spack-src/src/external/muparser/src/mu
ParserBase.cpp: 1881)
424 NVC++-S-0094-Illegal type conversion required (/tmp/br-kolgu/spack-stage/spack-stage-gromacs-2023.2-egcf5t2p57er6f3ix6ihkxt5wuydprml/spack-src/src/external/muparser/src/muParserBase.cpp:
1881)
425 NVC++-S-0000-Internal compiler error. mkexpr: bad id -9808 (/tmp/br-kolgu/spack-stage/spack-stage-gromacs-2023.2-egcf5t2p57er6f3ix6ihkxt5wuydprml/spack-src/src/external/muparser/src/mu
ParserBase.cpp: 1881)
426 NVC++-S-0094-Illegal type conversion required (/tmp/br-kolgu/spack-stage/spack-stage-gromacs-2023.2-egcf5t2p57er6f3ix6ihkxt5wuydprml/spack-src/src/external/muparser/src/muParserBase.cpp:
1881)
427 NVC++/x86-64 Linux 23.5-0: compilation completed with severe errors
>> 428 make[2]: *** [_deps/muparser-build/CMakeFiles/muparser.dir/build.make:93: _deps/muparser-build/CMakeFiles/muparser.dir/src/muParserBase.cpp.o] Error 2
429 make[2]: Leaving directory '/tmp/br-kolgu/spack-stage/spack-stage-gromacs-2023.2-egcf5t2p57er6f3ix6ihkxt5wuydprml/spack-build-egcf5t2'
>> 430 make[1]: *** [CMakeFiles/Makefile2:4317: _deps/muparser-build/CMakeFiles/muparser.dir/all] Error 2
431 make[1]: *** Waiting for unfinished jobs....
432 [3%] Building CXX object src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/collective.cpp.o
433 cd /tmp/br-kolgu/spack-stage/spack-stage-gromacs-2023.2-egcf5t2p57er6f3ix6ihkxt5wuydprml/spack-build-egcf5t2/src/gromacs && /lustre/home/br-kolgu/spack/lib/spack/env/nvhpc/nvc++ -DGMX_DOU
BLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/tmp/br-kolgu/spack-stage/spack-stage-gromacs-2023.2-egcf5t2p57er6f3ix6ihkxt5wuydprml/spack-src/src/include -I/tmp/br-kolgu/sp
ack-stage/spack-stage-gromacs-2023.2-egcf5t2p57er6f3ix6ihkxt5wuydprml/spack-build-egcf5t2/src/include -isystem /tmp/br-kolgu/spack-stage/spack-stage-gromacs-2023.2-egcf5t2p57er6f3ix6ihkxt
5wuydprml/spack-src/src/external/thread_mpi/include -isystem /lustre/home/br-kolgu/spack/opt/spack/linux-rhel8-zen3/gcc-12.2.0/hwloc-2.9.1-7rs4cnwfpcd7wsnjwssqdgmxbd4cdtwi/include -isyste
m /tmp/br-kolgu/spack-stage/spack-stage-gromacs-2023.2-egcf5t2p57er6f3ix6ihkxt5wuydprml/spack-src/src/external -isystem /lustre/home/br-kolgu/spack/opt/spack/linux-rhel8-zen3/gcc-12.2.0/f
ftw-3.3.10-4vhqkrue44d4cbxjd7zt6kwhb6mtnmug/include -fast -O3 -DNDEBUG --c++17 -fPIC -mavx2 -mfma -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/collective.cpp.o
-MF CMakeFiles/thread_mpi.dir/ __/external/thread_mpi/src/collective.cpp.o.d -o CMakeFiles/thread_mpi.dir/__ /external/thread_mpi/src/collective.cpp.o -c /tmp/br-kolgu/spack-stage/spack-st
age-gromacs-2023.2-egcf5t2p57er6f3ix6ihkxt5wuydprml/spack-src/src/external/thread_mpi/src/collective.cpp
434 make[2]: Leaving directory '/tmp/br-kolgu/spack-stage/spack-stage-gromacs-2023.2-egcf5t2p57er6f3ix6ihkxt5wuydprml/spack-build-egcf5t2'
435 [3%] Built target scanner
436 [3%] Building C object src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o
...
503 [5%] Built target thread_mpi
504 make[2]: Leaving directory '/tmp/br-kolgu/spack-stage/spack-stage-gromacs-2023.2-egcf5t2p57er6f3ix6ihkxt5wuydprml/spack-build-egcf5t2'
505 [5%] Built target options
506 make[2]: Leaving directory '/tmp/br-kolgu/spack-stage/spack-stage-gromacs-2023.2-egcf5t2p57er6f3ix6ihkxt5wuydprml/spack-build-egcf5t2'
507 [5%] Built target tng_io_obj
508 make[1]: Leaving directory '/tmp/br-kolgu/spack-stage/spack-stage-gromacs-2023.2-egcf5t2p57er6f3ix6ihkxt5wuydprml/spack-build-egcf5t2'
>> 509 make: *** [Makefile:169: all] Error 2
```
---
### Author:  [@al42and](https://gromacs.bioexcel.eu/u/al42and)
#### Post date: [April 24, 2024, 7:37pm UTC](https://gromacs.bioexcel.eu/t/spack-build-error-message-with-nvhpc-compiler/8968/2 "2024-04-24T19:37:09Z")
Hi!
GROMACS 2023 does not support compiling with NVC++. You can still use CUDA and CuFFTMp, just choose a different host compiler.
Building with NVHPC will be [possible](https://gitlab.com/gromacs/gromacs/-/commit/c79343982711d8cd90da856c7fb022c98c51ff5d) in GROMACS 2025, though.