Hello team, I tried to install v2021 but got following error statements: cmake -B builddir -DBUILD_XTP=ON -DCMAKE_INSTALL_PREFIX=home/tushita votca -- MKL: Thread Layer(Intel OpenMP) Interface(4-byte Integer) -- Could NOT find MKL: Source the compilervars.sh or mklvars.sh scripts included with your installation of MKL. This script searches for the libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) environment variables (missing: MKL_INCLUDE_DIR MKL_Core_LINK_LIBRARY MKL_Interface_LINK_LIBRARY MKL_ThreadLayer_LINK_LIBRARY) -- Could NOT find MKL: Source the compilervars.sh or mklvars.sh scripts included with your installation of MKL. This script searches for the libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) environment variables (missing: MKL_INCLUDE_DIR MKL_Core_STATIC_LINK_LIBRARY MKL_Interface_STATIC_LINK_LIBRARY MKL_ThreadLayer_STATIC_LINK_LIBRARY) CMake Error at /home/tushita/anaconda3/lib/python3.7/site-packages/cmake/data/share/cmake-3.20/Modules/FindPackageHandleStandardArgs.cmake:230 (message): Could NOT find Boost (missing: Boost_INCLUDE_DIR program_options filesystem system) (Required is at least version "1.53.0") Call Stack (most recent call first): /home/tushita/anaconda3/lib/python3.7/site-packages/cmake/data/share/cmake-3.20/Modules/FindPackageHandleStandardArgs.cmake:594 (_FPHSA_FAILURE_MESSAGE) /home/tushita/anaconda3/lib/python3.7/site-packages/cmake/data/share/cmake-3.20/Modules/FindBoost.cmake:2344 (find_package_handle_standard_args) CMakeLists.txt:109 (_find_package) tools/CMakeLists.txt:58 (find_package)
-- Configuring incomplete, errors occurred! See also "/home/tushita/builddir/CMakeFiles/CMakeOutput.log". See also "/home/tushita/builddir/CMakeFiles/CMakeError.log". What do these errors represent? Error log files are beyond my understanding..please help me here !!! Thanks, -Tushita On Monday, May 31, 2021 at 9:14:50 PM UTC+5:30 Christoph Junghans wrote: > > > On Mon, May 31, 2021, 09:24 'Tushita Rohilla' via votca < > [email protected]> wrote: > >> Thanks so much..its version 1.2.4..I hope it supports LAMMPS. >> > v1.2.4 is from August 2014, which pretty ancient and lammps wasn't as well > supported back then. > > I am now following the tutorials and the files need to be modified for >> LAMMPS i think. >> > I think it might be just easier to try to install a newer version of VOTCA > instead. > > >> On Monday, May 31, 2021 at 8:07:22 PM UTC+5:30 Christoph Junghans wrote: >> >>> On Mon, May 31, 2021 at 4:34 AM 'Tushita Rohilla' via votca >>> <[email protected]> wrote: >>> > >>> > Dear team, Hope you are doing great and are safe and healthy !!! >>> > >>> > I want to use VOTCA for running coarse-grained simulations of a >>> polymer and water system in LAMMPS. I have gone through the IBI and FM >>> theory and read papers. But I have not been able to figure our where to >>> start. I have only been able to install VOTCA through apt-get but dont know >>> where it is installed and how to use it. Along with this, I have only been >>> able to figure out through the files in the distribution that I shoud run >>> an all-atom simulation of atleast one polymer chain having sufficient >>> number of repeat units to capture forces in the dump file. That I find >>> doable still but then how to integrate it with VOTCA...please let me >>> know..I will be grateful...thanks.. >>> >>> First figure out what exact version you have installed, by running >>> csg_call --version or csg_stat --help. >>> >>> Then download the exact(!) same version of the tutorials from here: >>> https://github.com/votca/csg-tutorials/releases >>> >>> Once unpacked there is a guide/README you can follow. >>> >>> Christoph >>> >>> >>> > >>> > -Tushita >>> > >>> > -- >>> > 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/8a6d9357-dad9-452b-a0be-7722c09f4b25n%40googlegroups.com. >>> >>> >>> >>> >>> >>> -- >>> 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/477cd25a-5354-4943-b5da-676e58b49621n%40googlegroups.com >> >> <https://groups.google.com/d/msgid/votca/477cd25a-5354-4943-b5da-676e58b49621n%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/7abe360a-c2ad-4e97-9b84-ba089ec6eb1dn%40googlegroups.com.
