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

[Jiayu Sun]

Hi,

Thank you for your reply. I understand the situation.
For now, I mainly use it on my PC, so maybe the two packages are no needed.

Thank you again.
Sincerely





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20/06/15
08:30:23

Антон Л. <tenebrosu... at gmail.com> 于2020年6月14日周日 上午4:32写道：

> 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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