Thank you! Now it starts, but I get:
nwchem: ../../ga-5-3/armci/src-gemini/buffers.c:625: _armci_buf_get: Assertion `ar->req.active == 0' failed.
Program received signal SIGABRT: Process abort signal.
Backtrace for this error:
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
#0 0x357A4CD in _gfortrani_backtrace at backtrace.c:258
#1 0x3562C20 in _gfortrani_backtrace_handler at compile_options.c:129
#2 0x342F87F in system
#3 0x3759C7C in __libc_fork at fork.c:188
#4 0xFFFFFFFFFFFFFFFF
This is my input file:
start caca
title "caca"
charge 0
memory total 1 gb
geometry units ang print xyz noautoz
C -0.69678829 1.73570628 -0.00142243
C -0.01620581 1.54099739 1.21131057
C 1.32902041 1.15171656 1.19964001
C 2.00018884 0.95527676 -0.01379517
C 1.31155734 1.15232665 -1.22005238
C -0.03685172 1.54253226 -1.20631979
H -0.52673449 1.71951829 2.15748547
H 1.85815361 1.03470211 2.14251901
H 3.05396468 0.68571506 -0.02008303
H 1.82534835 1.04031559 -2.17156523
H -0.57103646 1.73534382 -2.13423958
O -2.02300658 2.11936078 -0.05844134
H -2.31951336 2.43887107 0.81230826
end
basis spherical
# * library cc-pVTZ
* library cc-pVDZ
end
scf
rhf
singlet
maxiter 80
end
mp2
freeze core atomic
end
task direct_mp2
What can be the problem?
Thanks,
Alex.
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