Hi, thanks for any help
test run of installed nwchem:
nwchem my_h2o_scf.nw
argument 1 = my_h2o_scf.nw
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.
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Superposition of Atomic Density Guess
-------------------------------------
Sum of atomic energies: -75.76222910
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
nwchem 0000000003313D11 Unknown Unknown Unknown
nwchem 0000000003312467 Unknown Unknown Unknown
libmpi_usempif08. 00002AD8E14E07B2 Unknown Unknown Unknown
libmpi_usempif08. 00002AD8E14E0606 Unknown Unknown Unknown
libmpi_usempif08. 00002AD8E14CEE5C Unknown Unknown Unknown
libmpi_usempif08. 00002AD8E14AFFA8 Unknown Unknown Unknown
libpthread.so.0 00000036F260F790 Unknown Unknown Unknown
libmpi.so.1 00002AD8E1C7D0B9 Unknown Unknown Unknown
libmkl_blacs_inte 00002AD8E121BA39 Unknown Unknown Unknown
libmkl_blacs_inte 00002AD8E121A1CD Unknown Unknown Unknown
libmkl_blacs_inte 00002AD8E120B522 Unknown Unknown Unknown
libmkl_blacs_inte 00002AD8E120AEF1 Unknown Unknown Unknown
libmkl_blacs_inte 00002AD8E12395FB Unknown Unknown Unknown
nwchem 00000000031E8C05 Unknown Unknown Unknown
nwchem 0000000000A024C3 Unknown Unknown Unknown
nwchem 0000000000A1B42C Unknown Unknown Unknown
nwchem 0000000000A0379E Unknown Unknown Unknown
nwchem 0000000000424009 Unknown Unknown Unknown
nwchem 0000000001AEB592 Unknown Unknown Unknown
nwchem 000000000118B97E Unknown Unknown Unknown
nwchem 000000000118865D Unknown Unknown Unknown
nwchem 000000000042B4F8 Unknown Unknown Unknown
nwchem 00000000004167BF Unknown Unknown Unknown
nwchem 000000000040B087 Unknown Unknown Unknown
nwchem 000000000040AB9E Unknown Unknown Unknown
libc.so.6 00000036F1E1ED5D Unknown Unknown Unknown
nwchem 000000000040AAA9 Unknown Unknown Unknown
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