Hi everyone,
I got the following errors while trying to install GROMACS-2018 version: #----------------------------------------------------------------------------------------------------------------------------------- [ 3%] Building C object src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o [ 3%] Built target tng_io_obj [ 3%] Generating baseversion-gen.c [ 3%] Building NVCC (Device) object src/gromacs/CMakeFiles/libgromacs.dir/mdlib/nbnxn_cuda/libgromacs_generated_nbnxn_cuda.cu.o [ 3%] Building NVCC (Device) object src/gromacs/CMakeFiles/libgromacs.dir/mdlib/nbnxn_cuda/libgromacs_generated_nbnxn_cuda_data_mgmt.cu.o [ 3%] Building NVCC (Device) object src/gromacs/CMakeFiles/libgromacs.dir/ewald/libgromacs_generated_pme-timings.cu.o /usr/include/c++/5/bits/stl_tree.h(1440): error: identifier "_Compare" is undefined 1 error detected in the compilation of "/tmp/tmpxft_00002256_00000000-22_pme-timings.compute_52.cpp1.ii". CMake Error at libgromacs_generated_pme-timings.cu.o.cmake:266 (message): Error generating file /home/lovuit/Downloads/gromacs-2018/build/src/gromacs/CMakeFiles/libgromacs.dir/ewald/./libgromacs_generated_pme-timings.cu.o src/gromacs/CMakeFiles/libgromacs.dir/build.make:77: recipe for target 'src/gromacs/CMakeFiles/libgromacs.dir/ewald/libgromacs_generated_pme-timings.cu.o' failed make[2]: *** [src/gromacs/CMakeFiles/libgromacs.dir/ewald/libgromacs_generated_pme-timings.cu.o] Error 1 CMakeFiles/Makefile2:2651: recipe for target 'src/gromacs/CMakeFiles/libgromacs.dir/all' failed make[1]: *** [src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2 Makefile:160: recipe for target 'all' failed make: *** [all] Error 2 ##----------------------------------------------------------------------------------------------------------------------------------- I downloaded the zip file from: http://manual.gromacs.org/documentation/2018/download.html and do tar xfz gromacs-2018.tar.gz cd gromacs-2018 mkdir build cd build cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON make as instructed on:http://manual.gromacs.org/documentation/2018/install-guide/index.html Does the make look for Cuda installation/library? I do have Nvidia Geforce GTX on my laptop (but I am not sure if I have Cuda installed correctly or not), and I am run Ubuntu 16.04. So what does the errors mean? What should I do in order to install successfully? Thank you so much for helping. Lovuit -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
