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CCP4BB  June 2010

CCP4BB June 2010

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Subject:

Re: Compilation of CNS 1.21 on Mac OSX 10.6.3

From:

Ethan Merritt <[log in to unmask]>

Reply-To:

Ethan Merritt <[log in to unmask]>

Date:

Wed, 9 Jun 2010 11:35:48 -0700

Content-Type:

Text/Plain

Parts/Attachments:

Parts/Attachments

Text/Plain (158 lines)

On Wednesday 09 June 2010 10:45:07 am James Holton wrote:
> I have often wondered how it is that one can actually run and play games 
> like Pac-Man(R) on a modern PC using the actual bit-for-bit contents of 
> the EPROM cartridges that I used to put into my Atari 2600 (circa 1982), 
> but for some reason programs written just a few years ago will neither 
> compile nor run on the "latest and greatest" linux/gcc systems. 

I seriously doubt that your Atari PacMan program was written in Fortran!
But more to the point, to run it now you run an emulator for the original
Atari chipset.  PacMac runs around thinking he really is on an Atari console,
blissfully unaware that the console is only an emulated simulation of the 
original long-gone world.  Welcome to the matrix.

> Am I missing something?

I think you are missing the mark twice in mentioning "linux/gcc".

The complaint under discussion is with OSX, not a linux system.
With rare exceptions, old linux programs run just fine on an up-to-date
linux system, so long as you also install equally old versions of the
support libraries.  Do you have a counter-example in mind?

In the specific case of old Fortran programs, the reality is that in the
era of commercial Fortran compilers there was great divergence in the 
details of the implementation, particular with regard to I/O commands.
gcc/f77/g77 was never a good Fortran compiler, and was particularly bad at
compiling code idioms used by "real-world" Fortran code written for
compilers supported by IBM, DEC, CDC, etc.   gfortran is somewhat better,
but still far from perfect.


As to Pryank's problem:

> Pryank Patel wrote:
> >
> > Hi all,
> > I've posted this in the hope that somebody in the CCP4 community may 
> > have come across this problem and can shed some light. I've posted 
> > this question on other lists (cnsbb, ccpnmr and aria - the reason will 
> > become clear), but with no success so far.
> >
> > I have recently acquired a Macbook Pro running OSX 10.6.3, (Kernel 
> > version 10.3.0) and am unable to compile cns v1.21 from source, using 
> > either the gcc 4.2.1/4.4/4.5 compilers (4.4 and 4.5 installed using 
> > fink), and the Intel 11.1 (evaluation) compilers. 

I may be mis-remembering, but I have it in mind that the cns source code
requires selecting or porting a set of compiler-specific routines in one
of the source modules.  These are work-arounds for the variability in
Fortran implementations mentioned above.   Did you tweak this file
appropriately for each of the compilers you tried?

As a practical matter, you might want to look into running a VMWare layer
on your machine so that you can compile and run linux executables rather
than fighting the native OSX environment.   You too can join PacMac in
the happy world recreated in the matrix :-)

	Ethan



> > I am aware that 
> > there are Mac OSX binaries available, but I am also using CNS for NMR 
> > structure calculation with the Aria 2.3 program, and to run that 
> > successfully CNS needs to be re-compiled with Aria-specific source code.
> >
> > With the gcc4.5 compilers, CNS compiles and links with no warnings or 
> > errors, but fails at the execution stage. When I try to execute cns, 
> > either with './cns' or by running one of the test scripts, I get the 
> > following:
> >   dmemory error code = ******
> >   %ALLHP error encountered: fatal coding error
> >     (CNS is in mode: SET ABORT=NORMal END)
> >   *****************************************************
> >   ABORT mode will terminate program execution.
> >   *****************************************************
> >   Program will stop immediately.
> >            ============================================================
> >             Maximum dynamic memory allocation:           0 bytes
> >             Maximum dynamic memory overhead:             8 bytes
> >             Program started at:  on
> >             Program stopped at: 14:32:05 on 07-Jun-2010
> >             CPU time used:       0.0036 seconds
> >            ============================================================
> >   
> >
> > With 4.2.1 (using gfortran), CNS fails at the linking stage with 
> > "Undefined symbols:" errors. With 4.4, CNS compiles successfully, but 
> > when executed produces a simple "segmentation fault" message.
> >
> > With the 11.1 Intel compilers, CNS compiles successfully, but fails on 
> > execution:
> >
> > forrtl: severe (174): SIGSEGV, segmentation fault occurred
> > Image              PC                Routine            Line       
> >  Source             
> > cns                000000010029C7BE  _xtarmoin_         1813        
> > xdeclare.f
> > cns                000000010029C68E  _xreres_           764         
> > xdeclare.f
> > cns                000000010003E04A  _MAIN__            167         cns.f
> > cns                000000010000184C  Unknown            Unknown     
> > Unknown
> > cns                00000001000017E4  Unknown            Unknown     
> > Unknown
> >
> >
> > I have checked my shell stack limit, and to make sure, I set the shell 
> > stacksize using "ulimit -s 65532" (which I believe is the upper limit 
> > on Mac OSX) and by using the ifort linker option. Both of which made 
> > no difference.
> >
> > I then added some compiler options in an attempt to obtain more 
> > debugging information, including "-check bounds -g" and 
> > "-heap-arrays". The following occurs on execution:
> >
> > forrtl: severe (408): fort: (2): Subscript #1 of the array HEAP has 
> > value 155357288 which is greater than the up
> > per bound of 15
> >
> > Image              PC                Routine            Line        Source
> > cns                000000010087410C  Unknown               Unknown  
> > Unknown
> > cns                0000000100872C44  Unknown               Unknown  
> > Unknown
> > cns                000000010082BCCE  Unknown               Unknown  
> > Unknown
> > cns                00000001007E36AA  Unknown               Unknown  
> > Unknown
> > cns                00000001007E3AF7  Unknown               Unknown  
> > Unknown
> > cns                00000001002B48A4  _allhp_                   326  heap.f
> > cns                00000001002B7EC6  _heapvfy_                  93  
> > heapvfy.f
> > cns                0000000100071409  _MAIN__                    60  cns.f
> > cns                0000000100000D5C  Unknown               Unknown  
> > Unknown
> > cns                0000000100000CF4  Unknown               Unknown  
> > Unknown
> >
> >
> > Any help/ideas would be very much appreciated.
> >
> > Best wishes,
> > Pryank
> >
> >
> >
> >
> >
> >
> 

-- 
Ethan A Merritt
Biomolecular Structure Center,  K-428 Health Sciences Bldg
University of Washington, Seattle 98195-7742

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