[CP2K-user] [CP2K:18544] Re: CP2K compilation error by NVIDIA NVHPC compiler set

['Frederick Stein' via cp2k]

Dear Hanning,

I am afraid to tell you that the NVIDIA compiler set is not (yet) 
officially supported. Instead, I suggest to use a different compiler 
(intel, gcc) for now, but we will discuss this issue with the NVIDIA NVHPC 
team.

Best,
Frederick

Hanning Chen schrieb am Mittwoch, 15. März 2023 um 14:35:46 UTC+1:

> Dear CP2K developers,
>
>    I was trying to compile the latest version of CP2K (CP2K2023.1) using 
> NVIDIA's NVHPC compiler set, but ran into the following error messages:
>
> NVFORTRAN-S-0155-PASS argument must be declared CLASS in mp_irecv_custom 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-PASS argument name/position must match parent's PASS 
> argument name/position in type bound procedure mp_irecv_custom 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-Interface is not compatible with parent's interface for 
> type bound procedure mp_irecv_custom 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-PASS argument must be declared CLASS in mp_irecv_bm3 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-PASS argument must be scalar, nonpointer, and 
> nonallocatable in mp_irecv_bm3 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-PASS argument name/position must match parent's PASS 
> argument name/position in type bound procedure mp_irecv_bm3 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-Interface is not compatible with parent's interface for 
> type bound procedure mp_irecv_bm3 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-PASS argument must be declared CLASS in mp_irecv_bv 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-PASS argument must be scalar, nonpointer, and 
> nonallocatable in mp_irecv_bv 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-PASS argument name/position must match parent's PASS 
> argument name/position in type bound procedure mp_irecv_bv 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-Interface is not compatible with parent's interface for 
> type bound procedure mp_irecv_bv 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-PASS argument must be declared CLASS in mp_irecv_zm4 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-PASS argument must be scalar, nonpointer, and 
> nonallocatable in mp_irecv_zm4 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-PASS argument name/position must match parent's PASS 
> argument name/position in type bound procedure mp_irecv_zm4 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-Interface is not compatible with parent's interface for 
> type bound procedure mp_irecv_zm4 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-PASS argument must be declared CLASS in mp_irecv_zm3 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-PASS argument must be scalar, nonpointer, and 
> nonallocatable in mp_irecv_zm3 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-PASS argument name/position must match parent's PASS 
> argument name/position in type bound procedure mp_irecv_zm3 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-Interface is not compatible with parent's interface for 
> type bound procedure mp_irecv_zm3 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-PASS argument must be declared CLASS in mp_irecv_zm2 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-PASS argument must be scalar, nonpointer, and 
> nonallocatable in mp_irecv_zm2 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-PASS argument name/position must match parent's PASS 
> argument name/position in type bound procedure mp_irecv_zm2 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-Interface is not compatible with parent's interface for 
> type bound procedure mp_irecv_zm2 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-PASS argument must be declared CLASS in mp_irecv_zv 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-S-0155-PASS argument must be scalar, nonpointer, and 
> nonallocatable in mp_irecv_zv 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN-F-0008-Error limit exceeded 
> (/home/chenhanning/Downloads/cp2k/src/mpiwrap/message_passing.F: 4769)
> NVFORTRAN/arm64 Linux 23.1-0: compilation aborted
> make[3]: *** [/home/chenhanning/Downloads/cp2k/Makefile:519: 
> message_passing.o] Error 2
> make[2]: *** [/home/chenhanning/Downloads/cp2k/Makefile:146: all] Error 2
> make[1]: *** [/home/chenhanning/Downloads/cp2k/Makefile:128: sdbg] Error 2
> make: *** [Makefile:123: all] Error 2
>
>   Does anyone encounter the same issue? 
>
>   Thanks.
>
> Hanning 
>
>

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