[CP2K-user] [CP2K:14017] Re: Error in compilation with tool chain script

sumit agrawal sumitag... at gmail.com
Sat Oct 10 22:56:51 UTC 2020

Hii fabian,

Thanks for the help. Now I am able to install tool chain script. I use
"./install_cp2k_toolchain.sh" command for installation of  toolchain, and
it successfully installed. In the end local. sopt, local. sdbg, and local.
ssmp file created into the "toolchain/install/setup". Then I copy these
file into cp2k/arch directory.

But when I try to compile using " make -j ARCH=local VERSION=sopt", it is
showing error message. The error massage as following " Cannot read module
file 'libxxsmm. mod' opened at (1), because it was created by a different
version of GNU Fortran"... Compilation terminated.

Please advise me what to do.


On Fri, Oct 9, 2020 at 12:39 AM fa... at gmail.com <fabia... at gmail.com>

> Hi,
> If the script detects cuda on your system it attempts to install the
> libraries needed to compile cp2k with cuda support. To do so, you need to
> specify which GPU architecture you want to compile for. So you have two
> options
>  - disable gpu support if you do not intend to use it (--enable-cuda=no)
>  - specify the GPU architecture (--gpu-ver=XXX)
> Use the --help switch for more information.
> Fabian
> On Friday, 9 October 2020 at 07:08:12 UTC+2 sum... at gmail.com wrote:
>> Hello everyone,
>> I have downloaded the CP2K 7.1 version in my local home directory. When i
>> am installing CP2k with tool chain script, i am getting a error message.
>> The error message is :
>> "ERROR: (.install_cp2k_toolchain.sh) CUDA enabled, please choose GPU
>> architecture to compile for with --gpu-ver"
>> Please help me regarding this.
>> Thank you
> --
> You received this message because you are subscribed to the Google Groups
> "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an
> email to cp... at googlegroups.com.
> To view this discussion on the web visit
> https://groups.google.com/d/msgid/cp2k/c09be7af-48bf-4889-a6a5-ce5b4d1da4e3n%40googlegroups.com
> <https://groups.google.com/d/msgid/cp2k/c09be7af-48bf-4889-a6a5-ce5b4d1da4e3n%40googlegroups.com?utm_medium=email&utm_source=footer>
> .
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20201010/462c950c/attachment.htm>

More information about the CP2K-user mailing list