GROMACS version:2019.6
GROMACS modification: Yes/No
Having trouble installing GPU enabled gromacs on i7 (6 core) running on Ubuntu18.04 (with GPU: NVIDIA Quadro P620). First i tried with Gromcas (2020.3 version with CUDA 11.0. It failed. discussions on forum suggested the newer versions of gromacs has issues on installation. so i tried on old versions of Gromacs (gromacs 2019.6) and CUDA (10.1). but still i get the error and unable to install gromacs with the below commands
cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_GPU=ON -DGPU_DEPLOYMENT_KIT_ROOT_DIR=/usr/local/cuda -DGMX_PREFER_STATIC_LIBS=ON -DCMAKE_BUILD_TYPE=Release
make
make check
I get an error after make check as below
----------------
/usr/lib/x86_64-linux-gnu/libhwloc.a(components.o): In function `hwloc__dlforeach_cb':
(.text+0x74): undefined reference to `lt_dlopenext'
(.text+0xbf): undefined reference to `lt_dlsym'
(.text+0xec): undefined reference to `lt_dlclose'
(.text+0x19f): undefined reference to `lt_dlerror'
/usr/lib/x86_64-linux-gnu/libhwloc.a(components.o): In function `hwloc_plugins_exit':
(.text+0x409): undefined reference to `lt_dlclose'
/usr/lib/x86_64-linux-gnu/libhwloc.a(components.o): In function `hwloc_components_init':
(.text+0x841): undefined reference to `lt_dlinit'
(.text+0x88c): undefined reference to `lt_dlforeachfile'
/usr/lib/x86_64-linux-gnu/libhwloc.a(components.o): In function `hwloc_plugins_exit':
(.text+0x440): undefined reference to `lt_dlexit'
/usr/lib/x86_64-linux-gnu/libhwloc.a(topology-linux.o): In function `hwloc_linux_get_area_memlocation':
(.text+0xed): undefined reference to `move_pages'
(.text+0x160): undefined reference to `move_pages'
/usr/lib/x86_64-linux-gnu/libhwloc.a(topology-linux.o): In function `hwloc_linux_set_area_membind':
(.text+0xa8d): undefined reference to `mbind'
(.text+0xad1): undefined reference to `mbind'
/usr/lib/x86_64-linux-gnu/libhwloc.a(topology-linux.o): In function `hwloc_linux_set_thisthread_membind':
(.text+0xc38): undefined reference to `migrate_pages'
(.text+0xc65): undefined reference to `set_mempolicy'
(.text+0xca7): undefined reference to `set_mempolicy'
/usr/lib/x86_64-linux-gnu/libhwloc.a(topology-linux.o): In function `hwloc_linux_find_kernel_max_numnodes.isra.7.part.8':
(.text+0xd61): undefined reference to `get_mempolicy'
/usr/lib/x86_64-linux-gnu/libhwloc.a(topology-linux.o): In function `hwloc_linux_get_area_membind':
(.text+0xf4c): undefined reference to `get_mempolicy'
/usr/lib/x86_64-linux-gnu/libhwloc.a(topology-linux.o): In function `hwloc_linux_get_thisthread_membind':
(.text+0x112e): undefined reference to `get_mempolicy'
collect2: error: ld returned 1 exit status
src/programs/CMakeFiles/gmx.dir/build.make:111: recipe for target 'bin/gmx' failed
make[3]: *** [bin/gmx] Error 1
CMakeFiles/Makefile2:5322: recipe for target 'src/programs/CMakeFiles/gmx.dir/all' failed
make[2]: *** [src/programs/CMakeFiles/gmx.dir/all] Error 2
CMakeFiles/Makefile2:1071: recipe for target 'CMakeFiles/check.dir/rule' failed
make[1]: *** [CMakeFiles/check.dir/rule] Error 2
Makefile:626: recipe for target 'check' failed
make: *** [check] Error 2------
-------------------------------
kindly suggest me a way out
Thank you