Address not mapped in NEVPT2

I am trying to run a relativistic NEVPT2 job on Fluorine atom. It seems that I cannot have the number of orbitals closed in the zcasscf be equal to the orbitals frozen in the dnevpt2 calculation. This was noted in issue #80 for MRCI, which now appears to have been fixed. CASPT2 runs without problems as well. While the NEVPT2 job runs fine when ncore = 0, we would like to be able to freeze the core in order to be consistent with other computations.

This is the input I used:

{ "bagel" : [ 

{
  "title" : "molecule",
  "symmetry" : "C1",
  "basis" : "svp",
  "df_basis" : "svp-jkfit",
  "angstrom" : true,
  "geometry" : [ 
    {"atom" : "F",   "xyz" : [  -0.000000,     -0.000000,      0.000000]}
  ]
},

{
  "title" : "zcasscf",
  "state" : [ 0, 3 ],
  "nact_cas" : 4,
  "thresh" : 1.0e-10,
  "nclosed" : 1,
  "only_electrons"  :false,
  "finite_nucleus"  :true,
  "maxiter" : 500 
},

{
  "title" : "dnevpt2",
  "ncore":1
}

]}

This is the error message I receive:

       - Coulomb: J operator                       0.00
       - Coulomb: K operator                       0.00
 warning - eigenvalues between quaternion and standard diagonalization do not match:        1.2939750334        1.2800482699        1.3101597795
 warning - eigenvalues between quaternion and standard diagonalization do not match:        1.3092330792        1.3517217868        1.3696190595
 warning - eigenvalues between quaternion and standard diagonalization do not match:        1.3901806899        1.3859579406        1.3902270645
 warning - eigenvalues between quaternion and standard diagonalization do not match:        1.5045084443        1.4000192840        1.5150866631
 warning - eigenvalues between quaternion and standard diagonalization do not match:        3.2883454083        3.3480739225        3.3538598638
 warning - eigenvalues between quaternion and standard diagonalization do not match:        3.3647665980        3.3668803509        3.3841063271
 warning - eigenvalues between quaternion and standard diagonalization do not match:        3.4152550820        3.3897386173        3.3926658478
 warning - eigenvalues between quaternion and standard diagonalization do not match:        3.4732207234        3.4039167775        3.4402231698
 warning - eigenvalues between quaternion and standard diagonalization do not match:        3.5332986555        3.4776235218        3.5160234247
       - Coulomb: half trans                       0.00
       - Coulomb: metric multiply                  0.01
       - Coulomb: K operator                       0.00
       - Coulomb: half trans                       0.00
       - Coulomb: metric multiply                  0.01
       - Coulomb: J operator                       0.00
       - Coulomb: K operator                       0.00
       - Fock computation                          0.05
    * 3-index integral transformation done
       - K matrices                                0.14
       - A, B, C, and D matrices                  31.54
[n049:19305] *** Process received signal ***
[n049:19305] Signal: Segmentation fault (11)
[n049:19305] Signal code: Address not mapped (1)
[n049:19305] Failing at address: (nil)
[n049:19305] [ 0] /lib64/libpthread.so.0(+0xf100)[0x2ac037e79100]
[n049:19305] [ 1] /opt/vulcan/opt/vulcan/linux-x86_64/intel-16.0.1/bagel-master-u2wax74ze66y6fm67tmmmq65sabkztmm/lib/libbagel_pt2.so.0(_ZNK5bagel6NEVPT2ISt7complexIdEE12set_up_cacheESt10shared_ptrIKNS_8GeometryEES4_INS_14ListRelDFFullTEES9_S9_St6vectorISA_ISt5tupleIIiiNS_6MP2TagIS2_EESD_EESaISE_EESaISG_EE+0x98)[0x2ac01da81f38]
[n049:19305] [ 2] /opt/vulcan/opt/vulcan/linux-x86_64/intel-16.0.1/bagel-master-u2wax74ze66y6fm67tmmmq65sabkztmm/lib/libbagel_pt2.so.0(_ZN5bagel6NEVPT2ISt7complexIdEE7computeEv+0x2267)[0x2ac01d9cffd7]
[n049:19305] [ 3] BAGEL[0x52a41b]
[n049:19305] [ 4] /lib64/libc.so.6(__libc_start_main+0xf5)[0x2ac03925db15]
[n049:19305] [ 5] BAGEL[0x529669]
[n049:19305] *** End of error message ***

Is there currently a solution that will allow us to freeze the core in when it is equal to the number of closed orbitals specified in zcasscf?

Thanks!

qsimulate-open / bagel

Address not mapped in NEVPT2 #94