f mrcc tst

Author: alongd

arc/testing/trsh/molpro/mrcc_rohf_unsupported.out

@@ -0,0 +1,14 @@
+
+ Primary working directories    : /scratch/user/12345
+ Secondary working directories  : /scratch/user/12345
+
+ PROGRAM SYSTEM MOLPRO
+
+ Variables initialized (889), CPU time= 0.01 sec
+ Commands  initialized (702), CPU time= 0.01 sec
+
+ Executing external program mrcc ...
+
+ Use semicanonical orbitals! standard ROHF orbitals are not supported for approximate CC methods.
+
+ Fatal error in mrcc.

arc/testing/trsh/molpro/mrcc_xmrcc_fatal.out

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+
+ Primary working directories    : /scratch/user/12345
+ Secondary working directories  : /scratch/user/12345
+
+ PROGRAM SYSTEM MOLPRO
+
+ Variables initialized (889), CPU time= 0.01 sec
+ Commands  initialized (702), CPU time= 0.01 sec
+
+ Executing external program xmrcc ...
+
+ Fatal error in xmrcc: the requested excitation rank exceeds the determinant space.