Hello, I have attempted to reinstall Votca as its latest version but using the same steps I obtain this error -- Checking for module 'libint2>=2.6' -- No package 'libint2' found CMake Error at /gpfs2/apps/spack-software/environments/default/packages/linux-rhel7-avx2_512/gcc-4.8.5/cmake-3.16.2-s6lhty27ap52usu6qkfnioit7xpbc47z/share/cmake-3.16/Modules/FindPkgConfig.cmake:463 (message): A required package was not found Call Stack (most recent call first):
/gpfs2/apps/spack-software/environments/default/packages/linux-rhel7-avx2_512/gcc-4.8.5/cmake-3.16.2-s6lhty27ap52usu6qkfnioit7xpbc47z/share/cmake-3.16/Modules/FindPkgConfig.cmake:643 (_pkg_check_modules_internal) xtp/CMakeLists.txt:51 (pkg_check_modules) when using the Cmake command. As the procedure worked before I am not sure why it no longer seems to work. Sincerely, Thibaut Wohrer On Mon, 12 Apr 2021 at 20:11, Christoph Junghans <[email protected]> wrote: > > > On Mon, Apr 12, 2021 at 03:42 Thibaut Wohrer <[email protected]> wrote: > >> Hello, >> >> I installed Votca version 1.6.2 through the installation guide using the >> general installation instructions. >> > I would try the most recent version, 2021, first! > > Christoph > > >> Sincerely, >> >> Thibaut Wohrer >> >> On Sun, 11 Apr 2021 at 20:07, Jens Wehner <[email protected]> wrote: >> >>> Hello, >>> >>> thanks for asking. As I developed this part I probably screwed it up. I >>> will investigate a bit and come back to it. >>> I think you are basically missing a default option. >>> >>> How did you install votca / which version are you using? >>> >>> Cheers Jens >>> >>> >>> Thibaut Wohrer schrieb am Freitag, 9. April 2021 um 16:56:34 UTC+2: >>> >>>> Hello, >>>> >>>> I have been experiencing issues when running the tutorial for QMMM >>>> calculation the XTP module as described here >>>> https://www.votca.org/xtp-tutorials/QMMM_GROMACS.html >>>> Specifically upon reaching the final section of the actual QMMM >>>> calculations, when inputting the line >>>> xtp_parallel -e qmmm -o OPTIONFILES/qmmm.xml -p 2 -f state.hdf5 -j run >>>> The first calculation runs normally for job ID 0 but moving to job ID 1 >>>> leads to the following error. >>>> ERROR: Job file incomplete. >>>> Job with id 1 is not finished. Check your job file for FAIL, >>>> AVAILABLE, or ASSIGNED. Exiting >>>> >>>> terminate called after throwing an instance of 'std::runtime_error' >>>> what(): Error: filters is not found >>>> >>>> This error occurs on a normal machine and for a PBS submitted script. >>>> This error also occurs regardless of using >>>> sed -i '0,/COMPLETE/s/COMPLETE/AVAILABLE/' qmmm_jobs.xml >>>> and this type of error does not occur in any of the previous >>>> calculations of the tutorial. >>>> >>>> Any help on this issue would be much appreciated! >>>> >>> -- >>> Join us on Slack: https://join.slack.com/t/votca/signup >>> --- >>> You received this message because you are subscribed to a topic in the >>> Google Groups "votca" group. >>> To unsubscribe from this topic, visit >>> https://groups.google.com/d/topic/votca/4bgodqD7vxs/unsubscribe. >>> To unsubscribe from this group and all its topics, send an email to >>> [email protected]. >>> To view this discussion on the web visit >>> https://groups.google.com/d/msgid/votca/c6bee565-d2b1-4a7f-a898-154cc1ffbfa9n%40googlegroups.com >>> <https://groups.google.com/d/msgid/votca/c6bee565-d2b1-4a7f-a898-154cc1ffbfa9n%40googlegroups.com?utm_medium=email&utm_source=footer> >>> . >>> >> -- >> Join us on Slack: https://join.slack.com/t/votca/signup >> --- >> You received this message because you are subscribed to the Google Groups >> "votca" group. >> To unsubscribe from this group and stop receiving emails from it, send an >> email to [email protected]. >> To view this discussion on the web visit >> https://groups.google.com/d/msgid/votca/CALKNByGC0qkHz2xbsp%2B9WO8WA4wdjxwGw4Yd7o3-Hx%2BwUkkgOA%40mail.gmail.com >> <https://groups.google.com/d/msgid/votca/CALKNByGC0qkHz2xbsp%2B9WO8WA4wdjxwGw4Yd7o3-Hx%2BwUkkgOA%40mail.gmail.com?utm_medium=email&utm_source=footer> >> . >> > -- > Christoph Junghans > Web: http://www.compphys.de > > -- > Join us on Slack: https://join.slack.com/t/votca/signup > --- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to [email protected]. > To view this discussion on the web visit > https://groups.google.com/d/msgid/votca/CAHG27e4HcvnHS94DC%3DnSty4xb4pShtBvw%3DWRGr5DyxbRGbr3Xg%40mail.gmail.com > <https://groups.google.com/d/msgid/votca/CAHG27e4HcvnHS94DC%3DnSty4xb4pShtBvw%3DWRGr5DyxbRGbr3Xg%40mail.gmail.com?utm_medium=email&utm_source=footer> > . > -- Join us on Slack: https://join.slack.com/t/votca/signup --- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To view this discussion on the web visit https://groups.google.com/d/msgid/votca/CALKNByHyjeyEyAn_dni-T94eqXFumNv-eFOqJDN7Q6MJn6o7mg%40mail.gmail.com.
