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MAC OS X EI Capitan Supports Dalton 2015.1 Compilation

Posted: 15 Oct 2015, 10:04
by xiongyan21
The compilation of Dalton2015.1 on Version 10.11 of MAC OS X EI Capitan has been successful with Cmake 3.3.2, mpich2 3.1.4_1 and GCC 4.9.2 installed, and all the tests, by ctest -j4 with the default parameters, except the failure of 160 - rsp_soppapolarsymm and timeout of 426 - cc3r12_n2_sym_exc_tight together with 427 - cc3r12_n2_sym_exc_lhtr_tight can pass.

By the way, the target of Dirac 2014.1 is finally built sequentially on the same environment and all the tests but 11 - reladc_sip , 12 - reladc_sipeigv and 13 - reladc_dip can pass.

Re: MAC OS X EI Capitan Supports Dalton 2015.1 Compilation

Posted: 15 Oct 2015, 11:55
by bast
xiongyan21 wrote:The compilation of Dalton2015.1 on Version 10.11 of MAC OS X EI Capitan has been successful with Cmake 3.3.2, mpich2 3.1.4_1 and Fortran 4.9.2 installed, and all the tests, by ctest -j4 with the default parameters, except the failure of 160 - rsp_soppapolarsymm and timeout of 426 - cc3r12_n2_sym_exc_tight together with 427 - cc3r12_n2_sym_exc_lhtr_tight can pass.

By the way, the target of Dirac 2014.1 is finally built sequentially on the same environment and all the tests but 11 - reladc_sip , 12 - reladc_sipeigv and 13 - reladc_dip can pass.
thanks! that's good to know.

Re: MAC OS X EI Capitan Supports Dalton 2015.1 Compilation

Posted: 30 Oct 2015, 05:40
by xiongyan21
Dalton 2015.1 has been successfully compiled on MAC OS X EI Capitan 10.11.1 with Xcode 7.1, Cmake 3.3.2, MPICH2 3.1.4_1 and GCC 5.2.0, and all the tests, using ctest -j4, can pass with the original parameters , except test 160 - rsp_soppapolarsymm (Failed).

By the way, the target of Dirac 2014.1 is finally built sequentially on the same environment and all the tests but 11 - reladc_sip , 12 - reladc_sipeigv and 13 - reladc_dip can pass.

Re: MAC OS X EI Capitan Supports Dalton 2015.1 Compilation

Posted: 19 Dec 2015, 12:20
by xiongyan21
Dalton 2015.1 has been successfully compiled senquentially on MAC OS X EI Capitan 10.11.2 with Xcode 7.2, Cmake 3.3.2, MPICH2 3.1.4_1 and GCC 5.2.0, and all the tests, using ctest -j4, can pass with the original parameters , except the failure of test 160 - rsp_soppapolarsymm.

Re: MAC OS X EI Capitan Supports Dalton 2015.1 Compilation

Posted: 19 Dec 2015, 12:21
by xiongyan21
Dalton 2015.1 has been successfully compiled sequentially on MAC OS X EI Capitan 10.11.2 with Xcode 7.2, Cmake 3.3.2, MPICH2 3.1.4_1 and GCC 5.2.0, and all the tests, using ctest -j4, can pass with the original parameters , except the failure of test 160 - rsp_soppapolarsymm.

By the way, the sequential compilation of Dirac15.0, the just released, is successful on MAC OS X EI Capitan 10.11.2 with Xcode 7.2, Cmake 3.3.2, MPICH2 3.1.4_1 and GFortran 5.2.0, and all the tests, using ctest -j4, can pass with the original parameters , except the following
12 - reladc_sip (Failed)
13 - reladc_sipeigv (Failed)
14 - reladc_dip (Failed)


If Dirac15.0 is parallelly built on the same environment, the following tests fail
8:krci_energy
12:reladc_sip
13:reladc_sipeigv
14:reladc_dip
35:lucita_large
36:mcscf_energy
43:krci_energy_q_corrections
51:bss_energy
66:krci_properties_perm_dipmom
68:mcscf_properties
85:lucita_short
91:krci_properties_omega_tdm
100:lucita_q_corrections