Compiling NwChem 6.8.1 on Ubuntu 18.04 with OpenMPI 4.0 failed


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Compiling NwChem 6.6 on Ubuntu 18.04.4 LTS with OpenMPI failed
I have installed nwchem to my laptop by “sudo apt-get install nwchem”

when i type “nwchem” on terminal it shows:

 Unable to open nwchem.nw --- appending .nw
------------------------------------------------------------------------
nwchem: failed to open the input file 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation


For further details see manual section:                                                                                                                                                                                                                                                                
21963:0:nwchem: failed to open the input file:: -1

Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:
  1. 0 0x7f5bebcde32a
  2. 1 0x7f5bebcdd503
  3. 2 0x7f5beab05f1f
  4. 3 0x7f5beab78646
  5. 4 0x7f5beab21a44
  6. 5 0x7f5beab23cb9
  7. 6 0x7f5beabf92eb
  8. 7 0x55cb38f7b694
  9. 8 0x55cb38f0985f
  10. 9 0x55cb38edcd1c
  11. 10 0x55cb36d70abe
  12. 11 0x55cb36764eac
  13. 12 0x55cb3676595e
  14. 13 0x7f5beaae8b96
  15. 14 0x55cb367637c9
  16. 15 0xffffffffffffffff
Segmentation fault (core dumped)


when I tries to run a test job: “mpirun -np 2 /usr/bin/nwchem test.nw > test.out “

title "Nitrogen cc-pvdz SCF geometry optimization"

geometry
 n 0 0 0
n 0 0 1.08
end

basis
 n library cc-pvdz
end

task scf optimize


it shows:

from getmem: mem. needed=               218875  , mem. available=               209363
texas: nerror called 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
An error occured while computing integrals
------------------------------------------------------------------------
For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation


For further details see manual section:                                                                                                                                                
1:1:texas: nerror called:: -1
(rank:1 hostname:subhankar-HP-ProBook-4420s pid:6177):ARMCI DASSERT fail. ../../ga-5-4/armci/src/common/armci.c:ARMCI_Error():208 cond:0


MPI_ABORT was invoked on rank 1 in communicator MPI COMMUNICATOR 4 DUP FROM 0
with errorcode -1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.


0:Terminate signal was sent, status=: 15
(rank:0 hostname:subhankar-HP-ProBook-4420s pid:6176):ARMCI DASSERT fail. ../../ga-5-4/armci/src/common/signaltrap.c:SigTermHandler():477 cond:0


Please help me.

Thank you in advance.