Molcas Forum

abid

Member

Registered: 2015-11-12

Posts: 41

No space left on device

Dear All
I have installed openMolcas on a cluster but when I run calculations with smaller basis functions(aug-cc-pvdz) it works nicely but when I use basis function of high quality(aug-cc-pvtz) it gives following message.

"Traceback (most recent call last):
  File "/opt/sw/molcas/sbin/pymolcas", line 483, in <module>
    sys.exit(main(os.path.realpath(f)))
  File "<string>", line 214, in main
  File "<string>", line 685, in auto
  File "<string>", line 190, in run
  File "<string>", line 190, in run
  File "<string>", line 342, in run
  File "<string>", line 744, in run_module
  File "<string>", line 1202, in run
  File "<string>", line 1075, in _read_rc
  File "<string>", line 813, in parallel_task
  File "/opt/sw/python/3.6.3/lib/python3.6/shutil.py", line 257, in copy2
    copyfile(src, dst, follow_symlinks=follow_symlinks)
  File "/opt/sw/python/3.6.3/lib/python3.6/shutil.py", line 122, in copyfile
    copyfileobj(fsrc, fdst)
OSError: [Errno 28] No space left on device"

----------------------------------------------------------------------------------------
What is the possibility of this error or how we can remove this error? Is this due to installation issues? Can anyone suggest a proper guideline for OpenMOLCAS installation (perfect) on cluster. As I myself do not have an experience of such issues and also our IT specialist do not have much knowledge about MOLCAS environment.It will be really great help if someone can suggest a detail of how to properly install OpenMolcas with all requirements (memory & other required).

Thank you very much

Last edited by abid (2019-03-11 07:46:05)

Ignacio

Administrator

From: Uppsala

Registered: 2015-11-03

Posts: 1,085

Re: No space left on device

The error is pretty clear: OSError: [Errno 28] No space left on device A larger basis set uses more disk space. You can use RICD, if you aren't using it already, to reduce disk usage. Also make sure that the scratch directory (WorkDir) is in a local disk to the node, with plenty of space.