AMBER Archive (2005)

Subject: Re: AMBER: Floating Exception and installation on Digital Unix.

From: anshul_at_imtech.res.in
Date: Tue Jan 11 2005 - 09:17:32 CST

Dear Bob Duke,
I dont have f90 compiler on my machine. Previously I installed amber-7 on
another unix machine (alpha) using the g-77 compiler and it is running
fine on that. So I tried to do the similar thing on this system. However,
today I came to know thta this system is DS 10 Compac unix machine.
CAnt we use the g-77 compiler on this to install Amber-7

With best regards,
Anshul

> Anshul,
> Okay, I am not a roar expert and that is where the problem is. However, I
> note that you are using g77 on an alpha box with digital Unix. Now, to my
> knowledge, the correct machine file to use for uniprocessor build (what
> you
> want to do first for everything, and then perhaps do a parallel build for
> sander), is Machine.axp_f90 (ie., do a "ln -s Machines/Machine.axp_f90
> MACHINE" in the src dir, followed by the make). Do you have the f90
> compiler for digital Unix on the machine (or as part of the system
> software
> release)? This would probably give you better performance than using g77.
> The g77 file probably assumes one of the machines defined by setenv
> MACHINE
> at the top of Machines.g77, and your success on other platforms with this
> file MAY require tweaking. This (ie., using Machine.axp_f90) may well fix
> your build problems; perhaps someone who has actually built amber 7 on an
> alpha with digital unix can comment, though.
> Regards - Bob Duke
>
> ----- Original Message -----
> From: <anshul_at_imtech.res.in>
> To: <amber_at_scripps.edu>
> Sent: Sunday, January 09, 2005 10:32 PM
> Subject: AMBER: Floating Exception and installation on Digital Unix.
>
>
>> Hi there,
>> I mailed soem time back regarding the Error of floating exception. As
>> Bob
>> told me to recheck everthing so i thought of starting with the
>> installation. I tried to reinstall everything once again. Today I found
>> that it is not installing properly. As it does not end with a message
>> regarding successful installation. These are the final few lines which I
>> see on the terminal.
>> ---------------------------
>> _esp_.f:498:
>> 1,'THE POINT CHARGES',/)
>> ^
>> Extraneous comma in FORMAT statement at (^)
>> _esp_.f: In block-data unit `espblo':
>> _esp_.f:2298: warning:
>> COMMON /ESPC/ CC(MAXPR),CEN(MAXPR,3),IAM(MAXPR,2),IND(MAXPR),
>> ^
>> Initialization of large (834384-unit) aggregate area `espc' at (^) slow
>> and takes lots of memory during g77 compile
>> *** Exit 1
>> Stop.
>> *** Exit 1
>> Stop.
>> *** Exit 1
>> Stop.
>> ---------------------------
>>
>> Can anyone be of any help for this. I am installing amber 7 on digita
>> Unix
>> with alpha cpu.
>>
>>
>> With best regards,
>> Anshul
>> -----------------------------------------------------------------------
>> The AMBER Mail Reflector
>> To post, send mail to amber_at_scripps.edu
>> To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
>>
>
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
>

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu