Dear Howard,
 
I am also try to compile siesta on Compaq Alpha Linux machine. I have fort compiler, MPICH-GM, CXML. I met your problem with H20 (and anothers ) structures. I changed the FFLAGS on FFLAGS-DEBUG (without any optimizations). It works but bad. I do not know why. If you have some ideas, please tell me.
Thanks,
 
Sergey

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