Re: [AMBER-Developers] Compilation of AMBER Tools

From: Andreas Goetz <agoetz.sdsc.edu>
Date: Thu, 9 Jun 2011 09:26:37 -0700

Hi Taisung,

Using allocatable data types in a user defined data type is only available since F2003. Pointers have to be used for F90. This is a bit of a pain because it's easy to introduce memory leaks, but there's no way around it. Before allocating memory for a pointer, you should always check whether it is already associated.

All the best,
Andy

On Jun 9, 2011, at 5:29 AM, Taisung Lee wrote:

> Ross,
>
>
>
> I just tried and changed "allocatable" to "pointer" in the
> qmmm_opnq type declaration and it works for me. However, since I do not
> have access to other compilers, could you try to do the same thing with your
> not-so-bleeding edge compiler? Please go ahead and check-in if it works for
> you.
>
>
>
> Taisung
>
>
>
>
>
>
>
>> -----Original Message-----
>
>> From: David A. Case [mailto:case.biomaps.rutgers.edu]
>
>> Sent: Thursday, June 09, 2011 4:32 AM
>
>> To: AMBER Developers Mailing List
>
>> Subject: Re: [AMBER-Developers] Compilation of AMBER Tools
>
>>
>
>> On Wed, Jun 08, 2011, Ross Walker wrote:
>
>>>
>
>>> We used pointers I believe. Since the allocatable argument inside a
>
>>> structure is F2003 if I remember correctly. We could just switch back to
>
>>> that to avoid issues.
>
>>
>
>> Ah...I forgot that part about being inside a struct. If we are sure that
>
>> this
>
>> is an F2003 extension, we could ask people not to make use of it.
>
>>
>
>>>
>
>> _______________________________________________
>
>> AMBER-Developers mailing list
>
>> AMBER-Developers.ambermd.org
>
>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
> _______________________________________________
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--
Dr. Andreas W. Goetz
San Diego Supercomputer Center
Tel  : +1-858-822-4771
Email: agoetz.sdsc.edu
Web  : www.awgoetz.de
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Received on Thu Jun 09 2011 - 09:30:02 PDT
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