ABINIT Discussion Forums

Hi, I am just finish installing the MPI enabled version of Abinit 7.6.3.

After the command ./configure, I am presented with two options of make: i) simply 'make' and ii) for SMP machine 'make multi multi_proc=<n>'.
Since the nproc command returned by the linuc cmd is 8, does it mean that I should choose the second option with n=8?

Suppose that I have choose the second method, when I do the internal testing 'make testin_1' no command available message is returned. For the test 'make tests_in' the results are positve but there is multiple results to a single sub-test (11 results to test_in, 11 results to test v1, 11 results to test v5 .....). Is this normal since I choose the second option above?

Another thing is that when I cancel the calculation due to too much time taken and then delete the Test_suite in the tests directory, there will be some error message: Level abinit : call macroin2. Status file, with repetition rate 49, status number 10. Sometimes it is will be ok again after a period of time but mostly I have to uninstall and make install again, which is not always working also.

Can someone help me to clear my confusions?

When you do a "make multi", the multi_nprocs parameter can vary between 2 and the total number of processors, e.g. 8 in your case. How many you use only depends on you and how many resources you want to keep for the other applications you're running at the same time on this computer.

The new test suite does not use makefiles anymore. See ~abinit/tests/runtests.py for details. In particular, running "./runtests.py -h" will give you a lot of useful information.

The messages you see when you interrupt a job are debug information. You can safely ignore it.

I don't understand what you mean by having to uninstall/reinstall the package. Once you've installed Abinit, you'll be able to run any of its executables as many times as you wish.