[CP2K-user] [CP2K:17890] Re: DBCSR error during build

[Alfio Lazzaro]

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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