[gmx-users] Install on Windows 10 with AMD GPU
James Burchfield
james.burchfield at sydney.edu.au
Fri Jul 19 02:20:43 CEST 2019
Thanks Szilárd,
I discovered this after modifying the environmental variables.
Decided to throw in the towel.
If time ever permits I may try the linux approach.
Many thanks
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: Thursday, 18 July 2019 11:22 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
On Thu, Jul 11, 2019 at 6:33 AM James Burchfield < james.burchfield at sydney.edu.au> wrote:
> I suspect the issue is that
> 64bit OpenCL is required and 32bit is enabled by default on this card.
> Apparently I can somewhere set GPU_FORCE_64BIT_PTR=1 But no idea how
> to do this yet...
>
GPU_FORCE_64BIT_PTR seems to be an environment variable which will only affect the runtime behavior. However, for that you first need to configure a GROMACS build and compile successfully. As far as I can tell, you still get stuck in the first stage as cmake can not detect the required dependencies.
--
Szilárd
>
> -----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: Tuesday, 9 July 2019 10:46 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
>
> 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://protect-au.mimecast.com/s/V9RBCVAGXPtKGBl5sGJu7r?domain=gith
> > ub.com
> > .com
> > 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/JJ7GCWLJY7iYJ3jPIxKJWr?domain=webmai
> l.sydney.edu.au
> > > l.sydney.edu.au
> > > >
> > > phone: +61 (0) 403 977 448
> > > web:
> > > http://sydney.edu.au/perkins/research/groups/david-james-lab.shtml
> > > ________________________________
> > >
> > > --
> > > Gromacs Users mailing list
> > >
> > > * Please search the archive at
> > >
> https://protect-au.mimecast.com/s/tp4kCXLKZoiNwAnqfDnUDl?domain=gromac
> s.org
> > > s.org before posting!
> > >
> > > * Can't post? Read
> > >
> https://protect-au.mimecast.com/s/kFN-CYWL1viZrY3NfVdB0o?domain=gromac
> s.org
> > > s.org
> > >
> > > * For (un)subscribe requests visit
> > >
> https://protect-au.mimecast.com/s/TbKBCZYM2VFRJvMDixxvEc?domain=mailli
> st.sys.kth.se
> > > st.sys.kth.se or send a mail to gmx-users-request at gromacs.org.
> > >
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> >
> https://protect-au.mimecast.com/s/tp4kCXLKZoiNwAnqfDnUDl?domain=gromac
> s.org
> > before posting!
> >
> > * Can't post? Read
> >
> https://protect-au.mimecast.com/s/kFN-CYWL1viZrY3NfVdB0o?domain=gromac
> s.org
> >
> > * For (un)subscribe requests visit
> >
> >
> https://protect-au.mimecast.com/s/TbKBCZYM2VFRJvMDixxvEc?domain=mailli
> st.sys.kth.se
> > or send a mail to gmx-users-request at gromacs.org.
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> >
> https://protect-au.mimecast.com/s/tp4kCXLKZoiNwAnqfDnUDl?domain=gromac
> s.org
> before
> > posting!
> >
> > * Can't post? Read
> https://protect-au.mimecast.com/s/kFN-CYWL1viZrY3NfVdB0o?domain=gromac
> s.org
> >
> > * For (un)subscribe requests visit
> >
> https://protect-au.mimecast.com/s/TbKBCZYM2VFRJvMDixxvEc?domain=mailli
> st.sys.kth.se
> or
> > send a mail to gmx-users-request at gromacs.org.
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> https://protect-au.mimecast.com/s/tp4kCXLKZoiNwAnqfDnUDl?domain=gromac
> s.org
> before posting!
>
> * Can't post? Read
> https://protect-au.mimecast.com/s/kFN-CYWL1viZrY3NfVdB0o?domain=gromac
> s.org
>
> * For (un)subscribe requests visit
>
> https://protect-au.mimecast.com/s/TbKBCZYM2VFRJvMDixxvEc?domain=mailli
> st.sys.kth.se or send a mail to gmx-users-request at gromacs.org.
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> https://protect-au.mimecast.com/s/tp4kCXLKZoiNwAnqfDnUDl?domain=gromac
> s.org before posting!
>
> * Can't post? Read
> https://protect-au.mimecast.com/s/kFN-CYWL1viZrY3NfVdB0o?domain=gromac
> s.org
>
> * For (un)subscribe requests visit
> https://protect-au.mimecast.com/s/TbKBCZYM2VFRJvMDixxvEc?domain=mailli
> st.sys.kth.se or send a mail to gmx-users-request at gromacs.org.
--
Gromacs Users mailing list
* Please search the archive at https://protect-au.mimecast.com/s/tp4kCXLKZoiNwAnqfDnUDl?domain=gromacs.org before posting!
* Can't post? Read https://protect-au.mimecast.com/s/kFN-CYWL1viZrY3NfVdB0o?domain=gromacs.org
* For (un)subscribe requests visit
https://protect-au.mimecast.com/s/TbKBCZYM2VFRJvMDixxvEc?domain=maillist.sys.kth.se or send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users
mailing list