GROMACS version: 2024
Dear All, I tried to install the Gromacs 2024 version and I encountered the following error. Here I attached the necessary files. Shall I proceed with the following? Please do needful. Thanks in advance. Have a great day.
I have not seen such issues before. It looked to be related to output. Could it be that your filesystem is (nearly) out of space?
Thank you, Sir, for your reply.
My drive has more than 400 GB of free space, during the installation time.
I deleted the entire installation and started from scratch again. This time I encountered some more issues, given below.
https://drive.google.com/drive/folders/1sExWUlsnk1UAK49DaR-0iXjuVT3db61T?usp=sharing
Thank you for your time and consideration.
In your new outputs the actual error messages are missing. You seem to have copied the text only from the failure message.
I see now that in your log there are issues with death tests that warn about fork, but I don’t know if that is related to the issue.
I have no clue what is causing this. Could you configure compile the tests with CMAKE_BUILD_TYPE=Debug and run the mdrun io test in the debugger with:
gdb bin/mdrun-io-test
Then we can see where the exception is thrown.
Thank You, Sir
With your information, I can able to install Gromacs 2024 successfully.
I used the following cmake command and it worked best.
cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=OFF -DGMX_GPU=CUDA -DCMAKE_INSTALL_PREFIX=/home/srv/G24/Gromacs -DREGRESSIONTEST_PATH=/home/srv/G24/regressiontests-2024 -DCMAKE_BUILD_TYPE=Debug
I would like to know, how to proceed with this, in case of future needs,
Thank You, Sir.