[gmx-users] Install on Windows 10 with AMD GPU

Tue Jul 9 14:46:36 CEST 2019

Hi James,

On Mon, Jul 8, 2019 at 10:57 AM James Burchfield <
james.burchfield at sydney.edu.au> wrote:

> Thankyou Szilárd,
> Headers are available here https://github.com/KhronosGroup/OpenCL-Headers
> But I get
> CMake Error at cmake/gmxManageOpenCL.cmake:45 (message):
>   OpenCL is not supported.  OpenCL version 1.2 or newer is required.
> Call Stack (most recent call first):
>   CMakeLists.txt:236 (include)
>
> I am setting
> OpenCL_include_DIR to C:/Users/Admin/ OpenCL-Headers-master/CL
>

That path should not include "CL" (the header is expected to be included as
CL/cl.h).

Let me know if that helps.

--
Szilárd

> OpenCL_INCLUDE_DIR OpenCL_Library to C:/Windows/System32/OpenCL.dll
>
>
> The error file includes
>   Microsoft (R) C/C++ Optimizing Compiler Version 19.21.27702.2 for x64
>
>   CheckSymbolExists.c
>
>   Copyright (C) Microsoft Corporation.  All rights reserved.
>
>   cl /c /Zi /W3 /WX- /diagnostics:column /Od /Ob0 /D WIN32 /D _WINDOWS /D
> "CMAKE_INTDIR=\"Debug\"" /D _MBCS /Gm- /RTC1 /MDd /GS /fp:precise
> /Zc:wchar_t /Zc:forScope /Zc:inline /Fo"cmTC_2c430.dir\Debug\\"
> /Fd"cmTC_2c430.dir\Debug\vc142.pdb" /Gd /TC /errorReport:queue "C:\Program
> Files\gromacs\CMakeFiles\CMakeTmp\CheckSymbolExists.c"
>
> C:\Program Files\gromacs\CMakeFiles\CMakeTmp\CheckSymbolExists.c(2,10):
> error C1083:  Cannot open include file:
> 'OpenCL_INCLUDE_DIR-NOTFOUND/CL/cl.h': No such file or directory
> [C:\Program Files\gromacs\CMakeFiles\CMakeTmp\cmTC_2c430.vcxproj]
>
>
> File C:/Program Files/gromacs/CMakeFiles/CMakeTmp/CheckSymbolExists.c:
> /* */
> #include <OpenCL_INCLUDE_DIR-NOTFOUND/CL/cl.h>
>
> int main(int argc, char** argv)
> {
>   (void)argv;
> #ifndef CL_VERSION_1_0
>   return ((int*)(&CL_VERSION_1_0))[argc];
> #else
>   (void)argc;
>   return 0;
> #endif
> }
>
>
> Guessing it is time to give up
>
> Cheers
> James
>
>
>
>
> -----Original Message-----
> From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <
> gromacs.org_gmx-users-bounces at maillist.sys.kth.se> On Behalf Of Szilárd
> Páll
> Sent: Friday, 5 July 2019 10:20 PM
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Cc: gromacs.org_gmx-users at maillist.sys.kth.se
> Subject: Re: [gmx-users] Install on Windows 10 with AMD GPU
>
> Dear James,
>
> Unfortunately, we have very little experience with OpenCL on Windows, so I
> am afraid I can not advise you on specifics. However, note that the only
> part of the former SDK that is needed is the OpenCL headers and loader
> libraries (libOpenCL) which is open source software that can be obtained
> from the standards body, KHronos. Not sure what the mechanism is for
> Windows, but for Linux these components are in packaged in the standard
> repositories of most distributions.
>
> However, before going through a large effort of trying to get GROMACS
> running on Windows + AMD + OpenCL, you might want to consider evaluating
> the potential benefits of the hardware. As these cards are quite dated you
> might find that they do not provide enough performance benefit to warrant
> the effort required -- especially as, if you have a workstation with
> significant CPU resources, you might find that GROMACS runs nearly as fast
> or faster on the CPU only (that's because we have very efficient CPU SIMD
> code for all compute-intensive work).
>
> To do a hopefully easier quick performance evaluation, you could simply
> boot a Linux distribution off of an external disk, you can find Linux
> drivers for them for Ubuntu 16.04/18.04 at least which you can install and
> see how well does the system perform.
>
> I hope that helps!
>
> Cheers,
> --
> Szilárd
>
>
> On Fri, Jul 5, 2019 at 9:11 AM James Burchfield <
> james.burchfield at sydney.edu.au> wrote:
>
> > Hi there,
> >
> > I was hoping to install  gromacs on a windows10 system that runs 2 AMD
> > Firepro cards.
> > I have managed to achieve almost everything in terms of setting up the
> > compilation with the exception of OpenCl.
> >
> > The issue I have run into are in reference to the settings of
> >
> > CMAKE_PREFIX_PATH  (unsure if I need to put anything here)
> > OpenCL_INCLUDE_DIR OpenCL_Library
> >
> > The cards I am running are~ 5years old Firepro W7100 OpenCL version
> > they are running is 2.0
> >
> >
> > AMD no longer makes the OpenCL SDK
> > Apparrently, most of the relevant stuff is now included with the
> > drivers and headers can be  downloaded from GitHub
> >
> > I have tried
> >
> >   *   Installing the old SDK
> >   *   Installing the newer "light" version of the SDK
> >   *   Downloading the headers
> >
> > Whatever the case
> > I cannot get it to work .
> > I get an error saying that the minimum requirement is openCl 1.2.
> > According to the AMD driver the cards are running opencl 2.0
> >
> > Any help would be appreciated
> >
> > Cheers,
> > James
> >
> >
> > ________________________________
> > Dr James Burchfield
> > Group Leader - Molecular Imaging
> > Metabolic Cybernetics Laboratory | School of Life and Environmental
> > Sciences
> > D17 - Charles Perkins Centre | The University of Sydney | NSW | 2006
> > email: james.burchfield at sydney.edu.au<
> > https://protect-au.mimecast.com/s/gzn3CGvmB5ilERGxIKvKhT?domain=webmai
> > l.sydney.edu.au
> > >
> > phone: +61 (0) 403 977 448
> > web:
> > http://sydney.edu.au/perkins/research/groups/david-james-lab.shtml
> > ________________________________
> >
> > --
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