[CP2K-user] [CP2K:17876] Re: DBCSR error during build

jerryt...@gmail.com jerrytanoury at gmail.com
Sun Oct 16 21:09:58 UTC 2022


Oops, here's the arch file that I sourced.



On Sunday, October 16, 2022 at 4:50:19 PM UTC-4 jerryt... at gmail.com wrote:

> Hi Alfio,
> I started over and compiled CP2K by sourcing the attached arch file, 
> slightly modified from the original.  However, I got a DBCSR error:
>
> $  make -j 8 ARCH=Linux-intel-x86_64-tanoury VERSION=psmp
> Discovering programs ...
> /cluster/home/tanoury/CP2K/cp2k-2022.1_Intel/exts/Makefile.inc:2: *** "No 
> DBCSR submodule available, please run '$  make -j 8 
> ARCH=Linux-intel-x86_64-tanoury VERSION=psmp
> Discovering programs ...
> /cluster/home/tanoury/CP2K/cp2k-2022.1_Intel/exts/Makefile.inc:2: *** "No 
> DBCSR submodule available, please run 'git submodule update --init 
> --recursive'".  Stop.
> make[1]: *** [psmp] Error 2
> make: *** [all] Error 2
> ".  Stop.
> make[1]: *** [psmp] Error 2
> make: *** [all] Error 2
>
> I ran 'git submodule update --init --recursive' from the cp2k home 
> directory and in the dbcsr directory, but got the same message shown below:
> cd
> fatal: Not a git repository (or any parent up to mount point /cluster)
> Stopping at filesystem boundary (GIT_DISCOVERY_ACROSS_FILESYSTEM not set).
>
> This was the reason why I was build DBCSR separately.  How do I fix this?
>
> Kind regards,
> Jerry
>
> On Saturday, October 8, 2022 at 10:22:52 AM UTC-4 jerryt... at gmail.com 
> wrote:
>
>> Hi Alfio,
>> Thank you.  I found the problem.
>>
>> Jerry
>>
>> On Thursday, September 29, 2022 at 5:26:06 AM UTC-4 Alfio Lazzaro wrote:
>>
>>> DBCSR is part of CP2K as a submodule and it is fully integrated in the 
>>> CP2K compilation. You don't need to build it separately. So just compile 
>>> CP2K and it will automatically compile DBCSR too.
>>>
>>> Alfio
>>>
>>>
>>>
>>> Il giorno mercoledì 28 settembre 2022 alle 19:29:25 UTC+2 
>>> jerryt... at gmail.com ha scritto:
>>>
>>>> Dear Forum,
>>>> I am building CP2K 2022.1 with Intel 2021.3 compilers and MKL using the 
>>>> toolchain.  After the toolchain built the arch files, I then went to build 
>>>> dbcsr following the directions on your website.  I used the following for 
>>>> cmake:
>>>>
>>>>
>>>> cmake -DUSE_SMM=libxsmm -DUSE_ACCEL=cuda -DWITH_GPU=V100 
>>>> -DCMAKE_HAVE_LIBC_PTHREAD=/usr/include -DBLA_VENDOR=Intel10_64lp_seq ..
>>>>
>>>> However, during I got the following error:
>>>> -- Performing Test f95-reshape-order-allocatable - Success
>>>> CMake Error at cmake/fypp-sources.cmake:9 (message):
>>>>   Failed to find the FYPP preprocessor.
>>>> Call Stack (most recent call first):
>>>>   src/CMakeLists.txt:3 (include)
>>>>
>>>>
>>>> -- Configuring incomplete, errors occurred!
>>>>
>>>> Please provide guidance on how to fix this.
>>>>
>>>> Best regards,
>>>> Jerry
>>>>
>>>>

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