GROMACS version: 2023.3
GROMACS modification: No
Hello all,
I am encountering a problem with gromacs build process. The “make check” shows 99% passed and 1 test failed (Test #74: regressiontests/complex failed.). So far I can run the gromacs without any problem but I might face problem in future. Any idea how to fix this? I have uploaded the log files of all the steps (cmake and make check) here for your reference.
cmake_output2.log (16.0 KB)
make_check.log (68.0 KB)
I used the following in cmake:
Sudo cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DBUILD_SHARED_LIBS=off -DCMAKE_C_COMPILER=/usr/local/bin/gcc -DCMAKE_CXX_COMPILER=/usr/local/bin/g++ -DGMX_GPU=CUDA -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda -DCMAKE_INSTALL_PREFIX=/home/pawan/ceph_data/gromacs-2023.3/build2/install … |& sudo tee cmake_output2.log