On Sun, Apr 12, 2020, 20:11 谢信锐 <[email protected]> wrote: > 1) I couldn't run it with ./xtp_map, the error is shown as follows: > > ./xtp_map: error while loading shared libraries: libvotca_xtp.so.7: cannot > open shared object file: No such file or directory > > 2) the content of “type -p csg_map” > > /bin/csg_map > 1. and 2. both hint at the fact that something went wrong with sourcing VOTCARC.bash from 3., libvotca_xtp.so.7 should be in /home/xxr/votca_xtp/lib and csg_map isn't the one from the installation either. So please try to source the VOTCARC.bash from 3. again with the full path, i.e. source /home/xxr/votca_xtp/bin/VOTCARC.bash And remember you have to do this for each new terminal session again.
Christoph > 3)the content of votcarc.bash > > #!/usr/bin/env bash > # > # Copyright 2009-2017 The VOTCA Development Team (http://www.votca.org) > # > # Licensed under the Apache License, Version 2.0 (the "License"); > # you may not use this file except in compliance with the License. > # You may obtain a copy of the License at > # > # http://www.apache.org/licenses/LICENSE-2.0 > # > # Unless required by applicable law or agreed to in writing, software > # distributed under the License is distributed on an "AS IS" BASIS, > # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. > # See the License for the specific language governing permissions and > # limitations under the License. > # > > #path is never empty > PATH="/home/xxr/votca_xtp/bin:${PATH}" > #debian wants to have : at the end > MANPATH="/home/xxr/votca_xtp/share/man:${MANPATH}" > > LD_LIBRARY_PATH="/home/xxr/votca_xtp/lib${LD_LIBRARY_PATH:+:}${LD_LIBRARY_PATH}" > > VOTCASHARE="/home/xxr/votca_xtp/share/votca" > > export PATH MANPATH LD_LIBRARY_PATH VOTCASHARE > > #bash completion > if [ -n "$BASH_VERSION" ]; then > for comp in "${VOTCASHARE}"/rc/*completion.bash; do > [ -r "$comp" ] && source "$comp" > done > unset comp > fi > > > > > -----Original Messages----- > *From:*"Christoph Junghans" <[email protected]> > *Sent Time:*2020-04-13 09:53:12 (Monday) > *To:* "谢信锐" <[email protected]> > *Cc:* "Baumeier, B." <[email protected]>, "Jens Wehner" < > [email protected]>, "[email protected]" <[email protected]> > *Subject:* Re: Re: Errors > > > > On Sun, Apr 12, 2020 at 19:40 谢信锐 <[email protected]> wrote: > >> Hi, >> >> >> I just followed what you said, but still couldn't run the xtp_map >> command. >> > > Can you run it directly using “./xtp_map”? Also can you post the content > of your VOTCARC.bash? And the content of “type -p csg_map”? > > Christoph > > >> Please see the attachment. >> >> >> ###I also installed the votca-ctp, and could run it without errors. >> >> >> Thank you! >> >> -----Original Messages----- >> *From:*"Baumeier, B." <[email protected]> >> *Sent Time:*2020-04-12 22:16:39 (Sunday) >> *To:* "谢信锐" <[email protected]>, "Christoph Junghans" < >> [email protected]> >> *Cc:* "Jens Wehner" <[email protected]>, "[email protected]" < >> [email protected]> >> *Subject:* Re: Errors >> >> >> >> Can you delete everything, then chose as >> prefix=/home/xxr/votca_xtp >> >> Then perform everything as before. >> >> When done installing: >> >> source /home/xxr/votca_xtp/bin/VOTCARC.bash >> >> >> >> >> >> On 12-04-2020 15:44, 谢信锐 wrote: >> >> I have uploaded the picture of /bin and CMake.log! >> >> -----Original Messages----- >> *From:*"Christoph Junghans" <[email protected]> <[email protected]> >> *Sent Time:*2020-04-12 21:07:01 (Sunday) >> *To:* "谢信锐" <[email protected]> <[email protected]> >> *Cc:* "Baumeier, B." <[email protected]> <[email protected]>, "Jens >> Wehner" <[email protected]> <[email protected]>, >> "[email protected]" <[email protected]> >> <[email protected]> <[email protected]> >> *Subject:* Re: Re: Re: Re: Re: Re: Errors >> >> What is inside the bin folder? >> >> And place use the mailing when posting your full install log. >> >> Christoph >> >> On Sun, Apr 12, 2020 at 06:15 谢信锐 <[email protected]> wrote: >> >>> Hi, >>> >>> The path of prefix=WHERE/TO/INSTALL/VOTCA consists of following >>> contents: >>> >>> bin include lib share >>> >>> >>> #Noting that running csg_xxx -h (such as csg_fmatch -h ) works, but not >>> xtp_map and so on! >>> >>> >>> -----Original Messages----- >>> *From:*"Baumeier, B." <[email protected]> >>> *Sent Time:*2020-04-12 16:48:51 (Sunday) >>> *To:* "Jens Wehner" <[email protected]>, "谢信锐" <[email protected]> >>> *Cc:* "Christoph Junghans" <[email protected]>, "[email protected]" >>> <[email protected]> >>> >>> >>> *Subject:* Re: Re: Re: Re: Re: Errors >>> >>> Which path did you chose for prefix=WHERE/TO/INSTALL/VOTCA? And what is >>> in this path? >>> >>> Get Outlook for Android <https://aka.ms/ghei36> >>> >>> ------------------------------ >>> *From:* 谢信锐 <[email protected]> >>> *Sent:* Sunday, April 12, 2020 10:34:34 AM >>> *To:* Jens Wehner <[email protected]> >>> *Cc:* Christoph Junghans <[email protected]>; Baumeier, B. < >>> [email protected]>; [email protected] <[email protected]> >>> *Subject:* Re: Re: Re: Re: Re: Errors >>> >>> >>> Hi, >>> >>> a) As follows, I installed the votca >>> >>> prefix=WHERE/TO/INSTALL/VOTCA >>> version=master # or 'stable' or 'v1.4.1' >>> git clone -b ${version} --recursive https://github.com/votca/votca.git cd >>> votca >>> mkdir build >>> cd build >>> cmake -DBUILD_CSGAPPS=ON -DBUILD_XTP=ON -DCMAKE_INSTALL_PREFIX=${prefix} .. >>> make -j4 >>> make install >>> >>> b) I searched the cmake.log and couldn't find it. >>> >>> >>> c) When I run csg_match -h, command 'csg_match' not found. >>> >>> >>> Sincerely! >>> >>> >>> -----Original Messages----- >>> *From:*"Jens Wehner" <[email protected]> >>> *Sent Time:*2020-04-12 16:22:35 (Sunday) >>> *To:* "谢信锐" <[email protected]> >>> *Cc:* "Christoph Junghans" <[email protected]>, "Baumeier, B." < >>> [email protected]>, [email protected] >>> *Subject:* Re: Re: Re: Re: Errors >>> >>> HI, >>> >>> a) how exactly did you get the latest version of votca? >>> >>> b) how did you install it? Can you post the cmake logs? >>> >>> c) what happens if you run csg_match -h ? >>> >>> Cheers Jens >>> >>> Am So., 12. Apr. 2020 um 08:51 Uhr schrieb 谢信锐 <[email protected]>: >>> >>> Hi, >>> >>> >>> I have installed the latest version of vocta, >>> >>> >>> the occurrence of error: >>> >>> I have installed VOTCA toolkit including both csg and xtp. When I run >>> the xtp_map in the presence of file position of >>> votca/xtp-tutorials/GROMACS/Methane, there is a error! >>> >>> >>> xtp_map -t MD_FILES/topol.tpr -c MD_FILES/conf.gro -s system.xml -f >>> state.hdf5 >>> >>> xtp_map: command not found >>> >>> what I did: >>> >>> I have sourced the VOTCARC.bash; >>> >>> xtp_map is in bin/ folder of the installation. >>> >>> >>> How to address this problem? >>> >>> Thank you! >>> >>> >>> >>> >>> -----Original Messages----- >>> *From:*"Christoph Junghans" <[email protected]> >>> *Sent Time:*2020-04-11 20:55:49 (Saturday) >>> *To:* "谢信锐" <[email protected]> >>> *Cc:* "Jens Wehner" <[email protected]>, "Baumeier, B." < >>> [email protected]> >>> *Subject:* Re: Re: Re: Errors >>> >>> >>> >>> On Sat, Apr 11, 2020, 06:47 谢信锐 <[email protected]> wrote: >>> >>> >>> Dear Christoph, >>> >>> >>> I have sourced the VOTCARC.bash, but the same problem still occurred! >>> >>> Maybe Jens or Bjorn know, both are cc'ed. Please use reply-all from now >>> on. >>> >>> Is there an xtp_map in bin/ folder of the installation? What version of >>> VOTCA are you using? >>> >>> Also could you please post these kind of question on the mailing list, >>> [email protected], so that others can learn of from it? >>> >>> Christoph >>> >>> >>> >>> >>> -----Original Messages----- >>> *From:*"Christoph Junghans" <[email protected]> >>> *Sent Time:*2020-04-11 20:13:52 (Saturday) >>> *To:* "谢信锐" <[email protected]> >>> *Cc:* "Baumeier, B." <[email protected]> >>> *Subject:* Re: Re: Errors >>> >>> >>> >>> On Sat, Apr 11, 2020, 05:58 谢信锐 <[email protected]> wrote: >>> >>> Hi, >>> >>> >>> Thank you very much! >>> >>> >>> I have installed VOTCA toolkit including both csg and xtp. When I run >>> the xtp_map in the presence of file position of >>> votca/xtp-tutorials/GROMACS/Methane, there is a error! >>> >>> >>> xtp_map -t MD_FILES/topol.tpr -c MD_FILES/conf.gro -s system.xml -f >>> state.hdf5 >>> >>> xtp_map: command not found >>> >>> Have you sourced VOTCARC? >>> >>> Christoph >>> >>> >>> I could not figure out what happened, and maybe I shall add some >>> definitive command to allow that process? >>> >>> >>> Sincerely! >>> >>> >>> >>> >>> >>> -----Original Messages----- >>> *From:*"Christoph Junghans" <[email protected]> >>> *Sent Time:*2020-04-08 20:36:24 (Wednesday) >>> *To:* "谢信锐" <[email protected]> >>> *Cc:* [email protected] >>> *Subject:* Re: Errors >>> >>> >>> >>> On Wed, Apr 8, 2020 at 02:06 谢信锐 <[email protected]> wrote: >>> >>> Hi, >>> >>> I have addressed some of errors, but not for CLANG_FORMAT (required >>> version >= 7.0.1) >>> >>> -- The following OPTIONAL packages have not been found: >>> >>> As it says here it is optional, so ignore that and go ahead. >>> >>> Christoph >>> >>> >>> >>> * CLANG_FORMAT (required version >= 7.0.1) >>> >>> -- Configuring done >>> -- Generating done >>> -- Build files have been written to: /home/xxr/votca-xtp/votca/build >>> >>> Shall this missing affect next process of installation? >>> >>> >>> Sincerely! >>> >>> >>> Xie Xinrui >>> >>> Department of Chemistry >>> >>> Zhejiang University >>> >>> >>> -----Original Messages----- >>> *From:*"谢信锐" <[email protected]> >>> *Sent Time:*2020-04-08 13:51:31 (Wednesday) >>> *To:* [email protected] >>> *Cc:* >>> *Subject:* Errors >>> >>> >>> >>> Hi, >>> >>> >>> When I installed the CTP of VOTCA, some errors occurred after inputting >>> >>> cmake -DBUILD_CTP=ON -DCMAKE_INSTALL_PREFIX=${prefix} .. >>> >>> >>> The details of errors is shown as follows: >>> >>> Boost version: 1.65.1 >>> -- Found the following Boost libraries: >>> -- program_options >>> -- filesystem >>> -- system >>> -- Could NOT find MKL (missing: MKL_INCLUDE_DIR MKL_Core_LINK_LIBRARY) >>> -- Found Eigen3: /usr/lib/cmake/eigen3 >>> -- Checking for module 'sqlite3' >>> -- No package 'sqlite3' found >>> CMake Error at >>> /usr/share/cmake-3.10/Modules/FindPackageHandleStandardArgs.cmake:137 >>> (message): >>> Could NOT find SQLITE3 (missing: SQLITE3_LIBRARY SQLITE3_INCLUDE_DIR) >>> Call Stack (most recent call first): >>> /usr/share/cmake-3.10/Modules/FindPackageHandleStandardArgs.cmake:378 >>> (_FPHSA_FAILURE_MESSAGE) >>> tools/CMakeModules/FindSQLITE3.cmake:31 >>> (find_package_handle_standard_args) >>> CMakeLists.txt:78 (_find_package) >>> tools/src/libtools/CMakeLists.txt:12 (find_package) >>> >>> >>> -- Configuring incomplete, errors occurred! >>> >>> >>> I'm not familiar with error handling, and guess that some supporting >>> programs are missing? >>> >>> >>> Sincerely! >>> >>> >>> >>> >>> -- >>> Christoph Junghans >>> Web: http://www.compphys.de >>> >>> -- >> Christoph Junghans >> Web: http://www.compphys.de >> >> >> -- > 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. 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