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<div><span></span><div>Hello Everyone,</div><div><br></div><div>I'm trying to calculate the non-adiabatic couplings of two 2A' states of LiFH.</div><div>I compiled Columbus from the source code of 02-Apr-2014 Revision A, including standard, grad and parallel.</div><div>The sequential ciudg.x computed the coupling successfully, while the parallel pciudg.x terminated with following errors:</div><div><br></div><div>*** End of DALTON calculation ***</div><div>end of cart2int</div><div> allocate: status= 0</div><div> bummer (fatal):inconsistent transition densities! 2</div><div><br></div><div>How can I solve this problem?</div><div><span style="background-color: window; font-size: 10.5pt; line-height: 1.5;">The necessary files are attached.</span></div></div>
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<div><span><div style="MARGIN: 10px; FONT-FAMILY: verdana; FONT-SIZE: 10pt"><div style="font-family: 'Microsoft YaHei UI', Tahoma; font-size: 14px; line-height: normal;">Yafu Guan</div><div style="font-family: 'Microsoft YaHei UI', Tahoma; font-size: 14px; line-height: normal;"><span style="background-color: window;">Dalian Institute of Chemical Physics</span></div><div style="font-family: 'Microsoft YaHei UI', Tahoma; font-size: 14px; line-height: normal;"><span style="background-color: window;">Dalian 116023, China</span></div><div style="font-family: 'Microsoft YaHei UI', Tahoma; font-size: 14px; line-height: normal;"><span style="background-color: window;">Tel.: +86-411-84379733</span></div></div></span></div>
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