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Although Dalton2018.1 has been successfully build by “setup --mpi", all the tests failed

Posted: 13 Feb 2019, 05:12
by xiongyan21
Dear All
Although DALton2018.1 has been successfully build by "setup --mpi", all the tests failed and a independently running of test of cc2dc_energy gave the following error
...
Open MPI tried to fork a new process via the "execve" system call but
failed. Open MPI checks many things before attempting to launch a
child process, but nothing is perfect. This error may be indicative
of another problem on the target host, or even something as silly as
having specified a directory for your application. Your job will now
abort.

Local host: ...
Application name: ...
Error: Permission denied
--------------------------------------------------------------------------
4 total processes failed to startexport DALTON_LAUNCHER="mpirun -np 4"

I used the following to compile
export USE_MPI=y
./setup --mpi
cd build
make -j8
Before the process of testing, I typed
export DALTON_LAUNCHER="mpirun -np 8"

The OS is Ubuntu18.04 and MPI is openmpi.
By the way, should MKL be additionally exported?
Very Best Regards!

Re: Although Dalton2018.1 has been successfully build by “setup --mpi", all the tests failed

Posted: 25 Mar 2019, 21:14
by magnus
It seems to be a problem with your local setup rather than an issue in Dalton. At least the "Error: Permission denied" points in that direction.