AMBER Archive (2006)

Subject: AMBER: compile amber8 on IBM-sp4

From: Rachel (comeonsos_at_googlemail.com)
Date: Tue Nov 21 2006 - 11:56:13 CST


Dear all,

I am trying to compile amber8 on the IBM-SP4 machines, I used './configure
-mpi xlf90_aix', after i used 'make paralle', i got the following error
message:
---------------------------------------------------------------------------------------------------------------
1506-173 (W) Option traditional is not valid. Enter xlc for list of valid
options.
"egb.f", line 131.12: 1506-296 (S) #include file "mpif.h" not found.
make: 1254-004 The error code from the last command is 1.
Stop.
make: 1254-004 The error code from the last command is 2.

-----------------------------------------------------------------------------------------------------------

and then if i go to the $AMBERHOME/test directory and use 'make
test.parallel', it says:

--------------------------------------------------------------------------------------------------------------

make: 1254-002 Cannot find a rule to create target test.parallel from
dependencies.
Stop.
-------------------------------------------------------------------------------------------------------------

Can anyone suggest how can i pass this problem please? thank you.

Best regards,

Rachel

On 11/20/06, Bill Ross <ross_at_cgl.ucsf.edu> wrote:
>
> Also make sure that you haven't set connect0, connect1, head and
> tail atoms in defining your HH residue. These are invitations to
> bond to the next residue.
>
> Bill
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