error in HSE calculation
Posted: Wed Nov 09, 2011 10:45 am
Hello,
One of our user is running HSE in HPCC; on running the code on 4 nodes 32 processors CentOS-5.3-64-bit; after running for few minutes it comes out with an error "mpiexec noticed that process rank 3 with PID 24082 on node node18.local exited on signal 11 (Segmentation fault)."
The particular node does not have any issue since its is capable of running all other vasp-codes with Intel-openmpi....ulimit-a says unlimited....the vasp-hse binary is binded with all requisite library files....ldconfig does not have any issue in master and slave nodes....the outcar file fails and comes out before writing the 1st iteration.Could you please help!
Thanks
Sudeep
One of our user is running HSE in HPCC; on running the code on 4 nodes 32 processors CentOS-5.3-64-bit; after running for few minutes it comes out with an error "mpiexec noticed that process rank 3 with PID 24082 on node node18.local exited on signal 11 (Segmentation fault)."
The particular node does not have any issue since its is capable of running all other vasp-codes with Intel-openmpi....ulimit-a says unlimited....the vasp-hse binary is binded with all requisite library files....ldconfig does not have any issue in master and slave nodes....the outcar file fails and comes out before writing the 1st iteration.Could you please help!
Thanks
Sudeep