[CP2K-user] [CP2K:17884] Re: DBCSR error during build

[jerryt...@gmail.com]

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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