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Posted: **Tue Dec 15, 2020 4:05 pm**

Hello,

I am trying to install the OpenACC port of VASP on our cluster with:
- nvidiahpc@20.7 (PGI)
- openmpi@4.0.2
- qd@2.3.13
- nccl@2.7.8-1 compiled with gcc@8.3.1

I have the following error:

Code: Select all

NVFORTRAN-S-1000-Call in OpenACC region to procedure 'errf' which has no acc routine information (xclib.f90: 1242)
NVFORTRAN-S-0155-Compiler failed to translate accelerator region (see -Minfo messages): Missing branch target block (xclib.f90: 1)
NVFORTRAN-F-0704-Compilation aborted due to previous errors. (xclib.f90)
NVFORTRAN/x86-64 Linux 20.7-0: compilation aborted

Do you have an idea on how to correct this?

The makefile.include and the compilation log file are attached

Posted: **Wed Dec 16, 2020 12:24 pm**

Hi,

I will have a look!
Could you pls. upload the preprocessed file (xclib.f90)?

Cheers,
Martijn Marsman

Posted: **Wed Dec 16, 2020 2:06 pm**

Sure here it is.
I had to gzip it so that I can post it.

Posted: **Wed Dec 16, 2020 5:51 pm**

It seems this file was not preprocessed with -D_OPENACC ...
I know you have set this in your makefile.include file so the problem must lie somewhere else.
Do you use some build system other than a simple "make"?

Posted: **Thu Dec 17, 2020 8:33 am**

Installation is done using Spack.
But it uses make.

I had to make some modifications in the recipe to support nvidia compilers. Maybe I made some mistake.
I will try to investigate that.

Posted: **Thu Dec 17, 2020 9:53 am**

My bad, Spack recipe was setting the environment variable CPP_OPTIONS to something that did not contains -D_OPENACC.

Sorry for that ...

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VASP 6.1.2 OpenACC 'errf' which has no acc routine information

VASP 6.1.2 OpenACC 'errf' which has no acc routine information

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Re: VASP 6.1.2 OpenACC 'errf' which has no acc routine information

Re: VASP 6.1.2 OpenACC 'errf' which has no acc routine information

Re: VASP 6.1.2 OpenACC 'errf' which has no acc routine information

Re: VASP 6.1.2 OpenACC 'errf' which has no acc routine information