[CP2K-user] [CP2K:13518] Re: "Non-zero exit code detected." when compile cp2k 7.1

[Антон Л.]

Hi,

first of all, please decide if you really need ScaLAPACK -- or, more
generally, if you really need MPI parallelization at all (AFAIK both
ScaLAPACK and ELPA depend on MPI). If you plan to run CP2K on a single
regular desktop, then you can safely avoid MPI employing only OpenMP
parallelization -- I wonder if you could gain any performance profit via
MPI over OpenMP.

If so, just disable MPI by running ./install_cp2k_toolchain.sh --mpi-mode=no

Otherwise, if you believe that you indeed want MPI parallelization, e.g.
you intend to run the code on a cluster node or on a few desktops connected
by network, then you should enter build/scalapack-2.0.2 subfolder and
inspect all files with .log extension. Details of any errors should be
reported there.

Hope this helps.


Am Fr., 12. Juni 2020 um 21:44 Uhr schrieb Jiayu Sun SLE <
sunjia... at gmail.com>:

> Hi Anton
> Thank you for your kindly help and patience.
>
> Now, I installed some packages and rerun the sh script and almost all the
> packages are installed, then the code skips, but only two packages shows
> error message, I print here:
>
> ==================== Installing ScaLAPACK ====================
> scalapack-2.0.2.tgz is found
> Installing from scratch into
> /home/jiayusun/Downloads/cp2k-7.1/tools/toolchain/install/scalapack-2.0.2
> ERROR: (./scripts/install_scalapack.sh, line 47) Non-zero exit code
> detected.
> ==================== Installing ELPA ====================
> elpa-2019.05.001.tar.gz is found
> Installing from scratch into
> /home/jiayusun/Downloads/cp2k-7.1/tools/toolchain/install/elpa-2019.05.001
> ERROR: (./scripts/install_elpa.sh, line 84) Non-zero exit code detected.
> Step ptscotch took 0.00 seconds.
> Step parmetis took 0.00 seconds.
> Step metis took 0.00 seconds.
> Step superlu took 0.00 seconds.
> Step pexsi took 0.00 seconds.
> Step quip took 0.00 seconds.
> Step plumed took 0.00 seconds
>
> I tried to install Scalapack by myself, before that, the packages of
> blas,  lapcak, cblas are all installed successfully, but the installation
> of Scalapack failed eventually.
> It's a tough way, now only two packages left, can you give me some advice?
>
> Thank you so much!!
>
>
> 在 2020年6月11日星期四 UTC+9下午12:08:21，Jiayu Sun SLE写道：
>>
>> Hi, everyone,
>> I have tried compiled the cp2k 7.1 version from toolchain script, the
>> *sh file, and using the OpenBLAS 0.3.6, the error message are listed below:
>>
>> ==================== Installing OpenBLAS ====================
>> OpenBLAS-0.3.6.tar.gz is found
>> Installing from scratch into
>> /home/jiayusun/Downloads/cp2k-7.1/tools/toolchain/install/openblas-0.3.6
>> patching file kernel/x86_64/KERNEL.SKYLAKEX
>> ERROR:
>> (/home/jiayusun/Downloads/cp2k-7.1/tools/toolchain/scripts/install_openblas.sh,
>> line 72) Non-zero exit code detected.
>> ERROR: (./scripts/install_mathlibs.sh, line 34) Non-zero exit code
>> detected.
>>
>>
>> How can I do this in this case?
>> What the meaning of this sentence: "Non-zero exit code detected." When I
>> compile other packages, this error occurs again, almost all the packages
>> are facing the same problem.
>>
>> Thank you for your help or advice.
>>
>> Sincerely
>>
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