AMBER Archive (2008)

Subject: AMBER: XLF problem in compiling AMBER8 on IBM PPC64 SUSE

From: liu junjun (ljjlp03_at_gmail.com)
Date: Tue Sep 30 2008 - 13:07:09 CDT

Hello everyone,

I got some problem when compiling AMBER8 on IBM ppc64 machine. The OS
is "SUSE LINUX Enterprise Server 9 (ppc)", the compiler is XLF. Intel
compiler is not available on this machine(so can't use ./configure
xlf90_suse). Here's how I did:

1). ./configure xlf90_aix
2). make clean ; make serial
it exists when compiling ene.f in sander directory with the following error:
======
"_ene.f", line 1896.31: 1513-041 (S) Arguments of the wrong type were
specified for the INTRINSIC procedure "max".
"_ene.f", line 1897.30: 1513-041 (S) Arguments of the wrong type were
specified for the INTRINSIC procedure "min".
======
The corresponding lines in _ene.f are as follows:
          ct1 = max ( -0.999, ct0 )
          ct2 = min ( 0.999, ct1)
It seems XLF doesn't like ct0 or ct1 as the argument to max() or
min(). The compilation on _ene.f with XLF went through if arguments
were changed like this:
          ct1 = max ( -0.999, 0.1 )
          ct2 = min ( 0.999, 0.1)

ct0 and ct1 are defined as double precision, I don't understand why
XLF doesn't like a double precision variable being the argument to
max() or min(). Can somone please help?

Thanks!

Junjun Liu
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