AMBER Archive (2008)

Subject: RE: AMBER: cfortran.h error with xlf90 compiler

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Fri May 02 2008 - 11:58:27 CDT

Hi Juyong,

 

I don’t think any of the developers had access to an IBM power PC system running SuSe Linux and xlf90 – you may well be the only person trying AMBER on such a system. The issue you are seeing seems to be that the developers of netCDF also did not have access to such a system.

 

A simple work around would be to add –nobintraj to the configure_amber arguments. This will mean that you can’t use binary trajectory files but this won’t be a show stopper. If you get any further errors please post them.

 

All the best

Ross

 

 

 

From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf Of juyong Lee
Sent: Friday, May 02, 2008 9:36 AM
To: amber_at_scripps.edu
Subject: AMBER: cfortran.h error with xlf90 compiler

 

Dear, amber developers

 

I'm trying to compile amber10 in the IBM cluster system.

 

And I bumped into the following compile time error while compiling fort-attio.c code in netCDF directory

 

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

cfortran.h", line 138.3: 1506-205 (S) #error "cfortran.h: Can't find your environment among:

    - MIPS cc and f77 2.0. (e.g. Silicon Graphics, DECstations, ...)

    - IBM AIX XL C and FORTRAN Compiler/6000 Version 01.01.0000.0000

    - VAX VMS CC 3.1 and FORTRAN 5.4.

    - Alpha VMS DEC C 1.3 and DEC FORTRAN 6.0.

    - Alpha OSF DEC C and DEC Fortran for OSF/1 AXP Version 1.2

    - Apollo DomainOS 10.2 (sys5.3) with f77 10.7 and cc 6.7.
    - CRAY

    - NEC SX-4 SUPER-UX

    - CONVEX

    - Sun

    - PowerStation Fortran with Visual C++

    - HP9000s300/s700/s800 Latest test with: HP-UX A.08.07 A 9000/730

    - LynxOS: cc or gcc with f2c.
    - VAXUltrix: vcc,cc or gcc with f2c. gcc or cc with f77.

    - f77 with vcc works; but missing link magic for f77 I/O.

    - NO fort. None of gcc, cc or vcc generate required names.

    - f2c : Use #define f2cFortran, or cc -Df2cFortran

    - NAG f90: Use #define NAGf90Fortran, or cc -DNAGf90Fortran

    - Absoft UNIX F77: Use #define AbsoftUNIXFortran or cc -DAbsoftUNIXFortran

    - Absoft Pro Fortran: Use #define AbsoftProFortran - Portland Group Fortran: Use #define pgiFortran

    - PathScale Fortran: Use #define PATHSCALE_COMPILER"

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

 

config_amber.h file was generated with -mpich flag and xlf90_suse option

 

specification of the system is

OS : Linux node481 2.6.5-7.139-pseries64 #1 SMP Fri Jan 14 15:41:33 UTC 2005 ppc64 ppc64 ppc64 GNU/Linux

fortran compiler : xlf90 ver. 9.1

Please help me~

I downloaded amber10 three days ago. However I have failed for three days......

 

Thanks in advance 

-- 
Lee, Juyong
Lab of Computational biology 
Ph.D. Candidate, Department of chemistry
Seoul National University, Seoul, Korea. 

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