Thanks a lot for the information Ross. The pmemd error was particularl= y
frustrating as there was obviously no problem with natom's type. I'll try my luck with 11.1.064 and see how it goes.
Regards,
Trevor
<= div>
-----[1]<amber-bounces.ambermd.org&= gt; wrote: -----
To: 'AMBER Mailing List' [2]<amber.ambermd.org>
From: Ro= ss Walker [3]<ross.rosswalker.co.uk>
Sent by: [4]<amber-bounces.a= mbermd.org>
Date: 03/16/2010 10:48PM
Subject: RE: [AMBER] Conf= irm compiling Amber10/Tools1.3 breaks with
intel v 11.1?
Hi Trevor,
Intel's lat= est compiler 11.1.069 is hopelessly broken. We have some
workarounds in = the current AMBER 11 tree but back porting it to AMBER 10
would be quite= some work. I would suggest going back to 11.1.064 or
earlier
for the ti= me being and wait until 11.1.069 gets superseded by something
that
Intel= will have hopefully 'silently' fixed.
All the best
Ross
F= YI the following describes how to obtain earlier version of the Intel
co= mpilers:
------- TERMINOLOGY ----------
Intel has changed its ter= minology. Since x86_64 was
probably trademarked by AMD I guess. It is = now as follows:
Current Name | Historical Names
---= --------------------------------
IA-32 = ;| x86, i386, i686 etc.
Intel 64 | x86= _64, em64t
IA-64 | Itanium, It= anium2, Itanic etc.
The 'majority' of you will want 'Intel 64'.
-= ------------------------------
Obtaining 'other' Intel compiler vers= ions:
Starting from [5]
http://so= ftware.intel.com/
Register for an Intel Network Account. Click N= ew Registration below
login
box on the right.
Register with email= address and password of your choice.
Then go to: [6]https://registration center.intel.com/RegCenter/register.aspx
Enter the serial number= for your Intel Compiler and the same email you
registered with above. Y= ou can find the serial number on the license
file.
E.g.
ls /opt/l= icenses/
NCOM_L_CMP__ XXXX-XXXXXXXX.lic
Click 'Regist= er Product'
Fill in Name, Company etc. Click Submit.
Next go = to:
[7]
https://regist= rationcenter.intel.com/
Click 'Registered Users Login'
Un= der Produce Subscription Information Click: IntelR Compiler Suite
Profes= sional Edition for Linux*
Under " IntelR Fortran Compiler Profession= al Edition for Linux*" Click
'Download Files'
At the bottom of th= e page look for:
"Select other packages from the dropdown menu:"
Here you can use the drop down boxes to select different versions 11.1, 11.0, 10.1 etc and also the update version Update 5, Update 4, Update 3= ,
056, 046, 038 etc etc.
Good luck,
Ross
> -----Ori= ginal Message-----
> From: [8]amber-bounces.ambermd.org [mailto:amber-bounces.ambermd.org= ]
On
> Behalf Of Trevor Gokey
> Sent: Tuesday, March 16, 2010 9= :34 PM
> To: [9]amber.ambermd.org
> Subject: [AMBER] Confirm comp= iling Amber10/Tools1.3 breaks with intel
v
> 11.1?
>
> <= br>> Hey everyone, I'm getting no l= uck compiling with the
newest
> intel compilers. Everything bu= t pmemd compiles but all of the tests
> for the othe r program= s fail somewhere. Pmemd complains about a
> global variable not havi = ng an explicit type in pme_setup.fpp.
I'm
> just assum= ing to avoid v1=.1
> for now? I was successfully (I th= ink) able to change the config
> files t=
> prop= erly link to the MKL, but perhaps v11.1 does work and the error
> is = in my linking.
> Trevor
>
> & nbsp;_______________________
= ________________________
> AMBER mailing list
> [10]AMBER.ambermd.org
> [11]http://lists.ambermd.org/mailm= an/listinfo/amber
______________ ________________________
F= ________
AMBER mailing list
[12]AMBER.ambermd.org
[13]
http://lists.amber= md.org/mailman/listinfo/amber
References
1. 3D"mailto:amber-bounces.ambermd.org"
2. 3D"mailto:amber.ambermd.org"
3. 3D"mailto:ross.rosswalker 4. 3D"mailto:amber-bounces.ambermd.org"
5. 3D"
http://software.intel.com/"
6. 3D"https:/ 7. 3D"
https://registrationcenter.intel.com/"
8. ="mailto:amber-bounces.ambermd.org"
9. 3D"mailto:amb 10. ="mailto:AMBER.ambermd.org"
11. file://localhost/tmp/3D"http 12. 3D"mailto:AMBER.ambermd.org"
13. 3D"
http://lists.ambermd.org/mailman/listinfo/amber"
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http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Mar 16 2010 - 23:30:03 PDT
