Re: [AMBER] Amber18, tools19, cuda 10.2

From: <accuratefreeenergy.gmail.com>
Date: Thu, 23 Apr 2020 09:56:44 -0400

Hi Chris,

        Your codes here seem a little bit old version. These pieces of codes are somehow complicated as I needed to handle two conditions of a special cuda compilation flag at the same time.

        Could you make sure that you have the newest updates installed, re-configure and re-compile, and attach your error message?

        Thanks a lot!

Taisung

-----Original Message-----
From: David A Case [mailto:david.case.rutgers.edu]
Sent: Thursday, April 23, 2020 8:50 AM
To: AMBER Mailing List <amber.ambermd.org>
Cc: Dave Cerutti <dscerutti.gmail.com>; Taisung Lee <taisung.gmail.com>
Subject: Re: [AMBER] Amber18, tools19, cuda 10.2

On Wed, Apr 22, 2020, Christopher Benjamin Coffey wrote:
>
>I'm trying to build the gpu binaries for amber18, tools 19 with cuda
>10.2. I get the error below.

I don't see any error message in your post. But it does look like a conflict if GTI is defined (but I'm no C++ expert). cc-ing to some GPU gurus, in case they missed this post.

...thanks for the report...dac


  Seems there is a conflict between
>simulationConst.h, and gti_global.cu. Can someone assist please? Thank
>you!
>
>---- simulationConst.h
>#ifndef _CUDA_SIMULATION
>#define _CUDA_SIMULATION
>
>#include "base_simulationConst.h"
> #ifdef GTI
>#include "gti_simulationConst.h"
>typedef gti_simulationConst simulationConst;
> #else
>typedef base_simulationConst simulationConst;
> #endif
>
>extern __constant__ simulationConst cSim;
>
>#endif /* _CUDA_SIMULATION */
>-----
>
>
>---- gti_global.h
>#include "copyright.i"
>
>//Place to hold globally accessible variables
>
>
>#include "simulationConst.h"
>__constant__ simulationConst cSim;
>----
>
>Best,
>Chris
>
>--
>Christopher Coffey
>High-Performance Computing
>Northern Arizona University
>928-523-1167
>
>
>
>_______________________________________________
>AMBER mailing list
>AMBER.ambermd.org
>https://nam02.safelinks.protection.outlook.com/?url=http%3A%2F%2Flists.
>ambermd.org%2Fmailman%2Flistinfo%2Famber&amp;data=02%7C01%7Cdavid.case%
>40rutgers.edu%7Cf0f061eebd82441fc35808d7e6e96732%7Cb92d2b234d35447093ff
>69aca6632ffe%7C1%7C1%7C637231762449278086&amp;sdata=g3z0DU9K2NReAiw4ojZ
>yTeNaCq1JWtpgYw4CavTdQoc%3D&amp;reserved=0 

-- 
====================================================================
David A. Case                         |       david.case.rutgers.edu
Dept. of Chemistry & Chemical Biology |
Rutgers University                    |    office:   +1-848-445-5885
174 Frelinghuysen Road, Rm. 208b      |    cell:     +1-609-751-8668
Piscataway, NJ 08854        USA       |   web: casegroup.rutgers.edu
====================================================================
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Apr 23 2020 - 07:30:02 PDT
Custom Search