[AMBER-Developers] SQM building problem.

From: MengJuei Hsieh <mengjueh.uci.edu>
Date: Fri, 29 Apr 2011 15:48:20 -0700

Hi,

There seems to be some problem about sqm new code that prevents compilers
from proceeding... Here is the code in question:

[mjhsieh.server sqm]$ cpp -traditional -P -DMKL -DBINTRAJ rotation.f >
_rotation.f
[mjhsieh.server sqm]$ ifort -c -O0 -FR -o rotation.o _rotation.f
_rotation.f(584): error #5082: Syntax error, found '=' when expecting one
of: BLOCK BLOCKDATA PROGRAM MODULE TYPE COMPLEX BYTE CHARACTER CLASS DOUBLE
...
         1 = MET(KL)
--------------^
_rotation.f(638): error #5082: Syntax error, found '=' when expecting one
of: BLOCK BLOCKDATA PROGRAM MODULE TYPE COMPLEX BYTE CHARACTER CLASS DOUBLE
...
      1 = MET(KL)
-----------^
compilation aborted for _rotation.f (code 1)

This is due to the fact that there is a variable called MKL in rotation.f,
so please change that variable name or unsetenv MKL_HOME before
"./configure" command.

Best,
-- 
Mengjuei Hsieh, Molecular Biology & Biochem, Univ. of California Irvine.
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Received on Fri Apr 29 2011 - 16:00:03 PDT
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