AMBER Archive (2006)

Subject: AMBER: Installation amber 9 on IBM SP4

From: Myunggi Yi (myunggi_at_gmail.com)
Date: Thu Aug 24 2006 - 11:05:50 CDT

I'm installing serial version of amber 9 on IBM SP4 first, then parrellel.
However I've got the error message from the screen, and only the following
execute files have been made.

addles lmodprmtop new2oldparm

I used the following command.

> ./configure xlf90_aix
> make serial

The following is the end of the screen output.
===================================
 ../lmod/lmod.a ../dcqtp/src/qmmm/libdivcon.a ../lapack/lapack.a
../blas/blas.a ../lib/nxtsec.o ../lib/sys.a -L/usr/lib -lmassv
-L/usr/lib -lblas
ld: 0711-317 ERROR: Undefined symbol: .vtanh
ld: 0711-345 Use the -bloadmap or -bnoquiet option to obtain more information.
make: 1254-004 The error code from the last command is 8.

Stop.
make: 1254-004 The error code from the last command is 2.

Stop.
===================================

And I "make clean" then,

> ./configure -mpi xlf90_aix
> make parallel

Then the following error message

==============================
Starting installation of Amber9 (parallel) at Thu Aug 24 12:00:48 EDT 2006.
        cd sander; make parallel
        ./checkparconf
        /lib/cpp -P -DMPI -DMASSLIB -DNMLEQ -DCLINK_PLAIN -DXLF90
-DPOE evb_vars.f > _evb_vars.f
        mpxlf90_r -bmaxdata:0x80000000 -c -qfixed -c -qfree=f90 -o
evb_vars.o _evb_vars.f
** evb_nml === End of Compilation 1 ===
** evb_amber === End of Compilation 2 ===
** evb_parm === End of Compilation 3 ===
** evb_xchff === End of Compilation 4 ===
** evb_xdat === End of Compilation 5 ===
** evb_mv === End of Compilation 6 ===
** evb_data === End of Compilation 7 ===
"_evb_vars.f", line 496.36: 1514-129 (E) Previous specified type does
not agree with the actual type of the INTRINSIC function. Type is
ignored.
"_evb_vars.f", line 496.63: 1514-129 (E) Previous specified type does
not agree with the actual type of the INTRINSIC function. Type is
ignored.
** evb_check === End of Compilation 8 ===
** evb_math === End of Compilation 9 ===
1501-510 Compilation successful for file _evb_vars.f.
        /lib/cpp -P -DMPI -DMASSLIB -DNMLEQ -DCLINK_PLAIN -DXLF90
-DPOE evb_input.f > _evb_input.f
        mpxlf90_r -bmaxdata:0x80000000 -c -qfixed -c -qfree=f90 -o
evb_input.o _evb_input.f
** evb_input === End of Compilation 1 ===
** evb_input_alloc === End of Compilation 2 ===
** evb_input_dealloc === End of Compilation 3 ===
1501-510 Compilation successful for file _evb_input.f.
        /lib/cpp -P -DMPI -DMASSLIB -DNMLEQ -DCLINK_PLAIN -DXLF90
-DPOE evb_init.f > _evb_init.f
"evb_init.f", line 18.12: 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.

Stop.

=======================

I followed the same process for amber 8 installation on the same machine,
and it was successful.

Please give me some idea.

Have a nice day. 

-- 
Best wishes,

MYUNGGI YI
==================================
KLB 419
Institute of Molecular Biophysics
Florida State University
Tallahassee, FL 32306

Office: (850) 645-1334
http://www.scs.fsu.edu/~myunggi
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