Output was 0 or nan

[zhuhui-in]

when i use dligand2.intel for my calculations, the output was always 0 or -nan, what's wrong with my try? any suggestions?

[yanz-24]

Similar issue here. I'm running dligand2.intel in a docker container using the example provided. Using the same command, sometimes I get a real result, sometimes it returns -nan. Can anyone provide a clue?