[CP2K-user] [CP2K:17891] Re: DBCSR error during build

[CC_nerd]

I recommend everyone use linux build just update the destro and install 
using git. Contact here <https://bit.ly/3F6CGvV> If you got Any issues.

On Tuesday, 18 October 2022 at 15:56:45 UTC+8 Alfio Lazzaro wrote:

> Hello Jerry,
> I'm glad that you get CP2K to compile.
>
> For completeness:
> 1. You always need `--recursive` when using `git clone`, i.e. `git clone 
> -b support/v2022.2 --recursive https://github.com/cp2k/cp2k.git cp2k`. If 
> you miss the flag (like in your case), then the solution is to use `git 
> submodule update --init --recursive`, as you did
>
> 2. As stated at 
> https://github.com/cp2k/cp2k/blob/master/INSTALL.md#1-acquire-the-code, 
> you have to download the cp2k-X.Y.tar.bz2 file. The .zip version is broken 
> (it misses the submodules, as you found)
>
> Il giorno lunedì 17 ottobre 2022 alle 22:10:42 UTC+2 jerryt... at gmail.com 
> ha scritto:
>
>> Hi Alfio,
>> I finally figured it out.  Each time I got the DBCSR error, I got the 
>> message:
>>
>> /cluster/home/tanoury/CP2K/cp2k-2022.2_Intel/exts/Makefile.inc:2: *** "No 
>> DBCSR submodule available, please run 'git submodule update --init 
>> --recursive'".  Stop.
>>
>> When compiling cp2k from cp2k-2022.2.zip, running 'git submodule update 
>> --init --recursive' did not work, even though that was the error message.  
>> When compiling cp2k from 'git clone -b support/v2022.2 
>> https://github.com/cp2k/cp2k.git cp2k-2022.2_Intel', running 'git 
>> submodule update --init --recursive' worked.  
>>
>> It seems the error message is the same whether cp2k is compiled from the 
>> unpackaged zip file or from git download.  However, the update ONLY WORKS 
>> for the git download.
>>
>> Jerry
>>
>> On Monday, October 17, 2022 at 3:18:31 PM UTC-4 jerryt... at gmail.com 
>> wrote:
>>
>>> Dear Alfio,
>>> I downloaded CP2K via git as follows:
>>>
>>> git clone -b support/v2022.2 https://github.com/cp2k/cp2k.git 
>>> cp2k-2022.2_Intel
>>>
>>> I then cd to cp2k-2022.2_Intel and ran:
>>>
>>> "source arch/Linux-intel-x86_64-tanoury.psmp" using the arch file I 
>>> attached previously.
>>>
>>> Please see the attached log file for the compile details.
>>>
>>> Kindest regards,
>>> Jerry
>>> On Monday, October 17, 2022 at 4:06:04 AM UTC-4 Alfio Lazzaro wrote:
>>>
>>>> Dear Jerry,
>>>> Could you confirm how you are downloading CP2K? From the message 
>>>> "fatal: Not a git repository (or any parent up to mount point /cluster)" I 
>>>> assume you are not using git. Please, check the instructions at:
>>>>
>>>> https://github.com/cp2k/cp2k#downloading-cp2k-source-code
>>>> https://github.com/cp2k/cp2k/blob/master/INSTALL.md
>>>>
>>>> Basically, you can use the versioned tarballs, cp2k-X.Y.tar.bz2 or "git 
>>>> clone --recursive".
>>>>
>>>> Alfio
>>>>
>>>> Il giorno domenica 16 ottobre 2022 alle 23:09:59 UTC+2 
>>>> jerryt... at gmail.com ha scritto:
>>>>
>>>>> 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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