I have updated the operating system to macOS Sierra 10.12.3 and found some tests, e.g.,acr_lcblyp.nw, could pass, whether they ran sequentially or parallelly, but test Be.nw still failed with the following information
Summary of "ao basis" -> "ao basis" (cartesian)
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Tag Description Shells Functions and Types
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be cc-pVTZ 10 35 4s3p2d1f
Forming initial guess at 0.0s
Superposition of Atomic Density Guess
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Sum of atomic energies: -14.57287345
from getmem: mem. needed= 275299 , mem. available= 252264
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texas: nerror called 0
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current input line :
28: task scf energy
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An error occured while computing integrals
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For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
0:texas: nerror called:Received an Error in Communication
application called MPI_Abort(comm=0x84000000, -1) - process 0
[unset]: write_line error; fd=-1 buf=:cmd=abort exitcode=-1
system msg for write_line failure : Bad file descriptor
Error no. 1 in getmem memory overflow : call no., amount requested : 75 265356
I have added the line
memory stack 1500 mb heap 1000 mb global 2500 mb
Test tddft_ac_co.nw got the following mistake
Superposition of Atomic Density Guess
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Sum of atomic energies: -112.43383664
spcart_bra2etran: nbf_xj.ne.nbf_sj (xj-sj) = 5
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current input line :
0:
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This error has not yet been assigned to a category
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For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section: No section for this category
What is the problem here?
Very Best Regards!
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