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-boun...@maillist.sys.kth.se <gromacs.org_gmx-users-boun...@maillist.sys.kth.se> On Behalf Of Szilárd Páll Sent: Thursday, 18 July 2019 11:22 PM To: Discussion list for GROMACS users <gmx-us...@gromacs.org> Cc: gromacs.org_gmx-users@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.burchfi...@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-boun...@maillist.sys.kth.se < > gromacs.org_gmx-users-boun...@maillist.sys.kth.se> On Behalf Of > Szilárd Páll > Sent: Tuesday, 9 July 2019 10:46 PM > To: Discussion list for GROMACS users <gmx-us...@gromacs.org> > Cc: gromacs.org_gmx-users@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.burchfi...@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-boun...@maillist.sys.kth.se < > > gromacs.org_gmx-users-boun...@maillist.sys.kth.se> On Behalf Of > > Szilárd Páll > > Sent: Friday, 5 July 2019 10:20 PM > > To: Discussion list for GROMACS users <gmx-us...@gromacs.org> > > Cc: gromacs.org_gmx-users@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.burchfi...@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.burchfi...@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-requ...@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-requ...@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-requ...@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-requ...@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-requ...@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-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.