Re: [gmx-users] Guidance on how to install Gromacs-5.0-beta2
Yes. Or you could have tried it to see! :-) Mark On Feb 22, 2014 8:04 AM, Yogendra Ramtirtha ramtirtha.yogen...@gmail.com wrote: Actually, I used the build directory which was created earlier. Should I create a new build directory all over again ? Can you please guide me. Thanks On Sat, Feb 22, 2014 at 12:12 AM, Justin Lemkul jalem...@vt.edu wrote: On 2/21/14, 1:29 PM, Yogendra Ramtirtha wrote: Hello, Sorry to disturb you but can you please elaborate, since I tried the modified command but still it gives similar error as before. Did you start from a clean build directory? -Justin On Fri, Feb 21, 2014 at 10:49 PM, Yogendra Ramtirtha ramtirtha.yogen...@gmail.com wrote: Thanks a lot I will try and let you know. On Fri, Feb 21, 2014 at 4:46 PM, Pavan Kumar kumar.pavan...@gmail.com wrote: Hello Yogendra, Remove -DGMX_BUILD_OWN_FFTW=ON argument and add CMAKE_PREFIX_PATH=/path/to/fftw I hope it works On Fri, Feb 21, 2014 at 4:31 PM, Yogendra Ramtirtha ramtirtha.yogen...@gmail.com wrote: Hello, Actually, I am trying to install Gromacs-5.0-beta2 on my systemwhich has Ubuntu 12.04. Everything went fine untill the make command which gives me the following error - ( [ 0%] Performing download step (verify and extract) for 'fftwBuild' -- verifying file... file='http:/www.fftw.org/fftw-3.3.3.tar.gz' -- verifying file... warning: did not verify file - no URL_HASH specified? -- extracting... src='/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/ contrib/fftw/fftwBuild-prefix/src/http:/ www.fftw.org/fftw-3.3.3.tar.gz' dst='/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/ contrib/fftw/fftwBuild-prefix/src/fftwBuild' CMake Error at fftwBuild-stamp/extract-fftwBuild.cmake:11 (message): error: file to extract does not exist: '/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/ contrib/fftw/fftwBuild-prefix/src/http:/ www.fftw.org/fftw-3.3.3.tar.gz' make[2]: *** [src/contrib/fftw/fftwBuild-prefix/src/fftwBuild-stamp/ fftwBuild-download] Error 1 make[1]: *** [src/contrib/fftw/CMakeFiles/fftwBuild.dir/all] Error 2 make: *** [all] Error 2 ) To deal with this error, I manually installed fftw-3.3.3 on my desktop but the major hurdle now is that I don't know how to proceed with Gromacs installation. Please can anyone guide me, I need help as Gromacs is a part of my academic work. ( I am a graduate student of biotechnology. ) -- 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-usersor send a mail to gmx-users-requ...@gromacs.org. -- Thanks Regards, Pavan Kumar Project Engineer CDAC -KP Ph +91-7676367646 -- 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. -- == Justin A. Lemkul, Ph.D. Ruth L. Kirschstein NRSA Postdoctoral Fellow Department of Pharmaceutical Sciences School of Pharmacy Health Sciences Facility II, Room 601 University of Maryland, Baltimore 20 Penn St. Baltimore, MD 21201 jalem...@outerbanks.umaryland.edu | (410) 706-7441 http://mackerell.umaryland.edu/~jalemkul == -- 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. -- 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. -- 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.
Re: [gmx-users] Guidance on how to install Gromacs-5.0-beta2
Thanks, I will try it all over again :) On Sat, Feb 22, 2014 at 3:49 PM, Mark Abraham mark.j.abra...@gmail.comwrote: Yes. Or you could have tried it to see! :-) Mark On Feb 22, 2014 8:04 AM, Yogendra Ramtirtha ramtirtha.yogen...@gmail.com wrote: Actually, I used the build directory which was created earlier. Should I create a new build directory all over again ? Can you please guide me. Thanks On Sat, Feb 22, 2014 at 12:12 AM, Justin Lemkul jalem...@vt.edu wrote: On 2/21/14, 1:29 PM, Yogendra Ramtirtha wrote: Hello, Sorry to disturb you but can you please elaborate, since I tried the modified command but still it gives similar error as before. Did you start from a clean build directory? -Justin On Fri, Feb 21, 2014 at 10:49 PM, Yogendra Ramtirtha ramtirtha.yogen...@gmail.com wrote: Thanks a lot I will try and let you know. On Fri, Feb 21, 2014 at 4:46 PM, Pavan Kumar kumar.pavan...@gmail.com wrote: Hello Yogendra, Remove -DGMX_BUILD_OWN_FFTW=ON argument and add CMAKE_PREFIX_PATH=/path/to/fftw I hope it works On Fri, Feb 21, 2014 at 4:31 PM, Yogendra Ramtirtha ramtirtha.yogen...@gmail.com wrote: Hello, Actually, I am trying to install Gromacs-5.0-beta2 on my systemwhich has Ubuntu 12.04. Everything went fine untill the make command which gives me the following error - ( [ 0%] Performing download step (verify and extract) for 'fftwBuild' -- verifying file... file='http:/www.fftw.org/fftw-3.3.3.tar.gz' -- verifying file... warning: did not verify file - no URL_HASH specified? -- extracting... src='/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/ contrib/fftw/fftwBuild-prefix/src/http:/ www.fftw.org/fftw-3.3.3.tar.gz' dst='/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/ contrib/fftw/fftwBuild-prefix/src/fftwBuild' CMake Error at fftwBuild-stamp/extract-fftwBuild.cmake:11 (message): error: file to extract does not exist: '/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/ contrib/fftw/fftwBuild-prefix/src/http:/ www.fftw.org/fftw-3.3.3.tar.gz' make[2]: *** [src/contrib/fftw/fftwBuild-prefix/src/fftwBuild-stamp/ fftwBuild-download] Error 1 make[1]: *** [src/contrib/fftw/CMakeFiles/fftwBuild.dir/all] Error 2 make: *** [all] Error 2 ) To deal with this error, I manually installed fftw-3.3.3 on my desktop but the major hurdle now is that I don't know how to proceed with Gromacs installation. Please can anyone guide me, I need help as Gromacs is a part of my academic work. ( I am a graduate student of biotechnology. ) -- 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-usersor send a mail to gmx-users-requ...@gromacs.org. -- Thanks Regards, Pavan Kumar Project Engineer CDAC -KP Ph +91-7676367646 -- 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-usersor send a mail to gmx-users-requ...@gromacs.org. -- == Justin A. Lemkul, Ph.D. Ruth L. Kirschstein NRSA Postdoctoral Fellow Department of Pharmaceutical Sciences School of Pharmacy Health Sciences Facility II, Room 601 University of Maryland, Baltimore 20 Penn St. Baltimore, MD 21201 jalem...@outerbanks.umaryland.edu | (410) 706-7441 http://mackerell.umaryland.edu/~jalemkul == -- 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. -- 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. -- Gromacs Users mailing list * Please
[gmx-users] Guidance on how to install Gromacs-5.0-beta2
Hello, Actually, I am trying to install Gromacs-5.0-beta2 on my systemwhich has Ubuntu 12.04. Everything went fine untill the make command which gives me the following error - ( [ 0%] Performing download step (verify and extract) for 'fftwBuild' -- verifying file... file='http:/www.fftw.org/fftw-3.3.3.tar.gz' -- verifying file... warning: did not verify file - no URL_HASH specified? -- extracting... src='/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/contrib/fftw/fftwBuild-prefix/src/http:/ www.fftw.org/fftw-3.3.3.tar.gz' dst='/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/contrib/fftw/fftwBuild-prefix/src/fftwBuild' CMake Error at fftwBuild-stamp/extract-fftwBuild.cmake:11 (message): error: file to extract does not exist: '/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/contrib/fftw/fftwBuild-prefix/src/http:/ www.fftw.org/fftw-3.3.3.tar.gz' make[2]: *** [src/contrib/fftw/fftwBuild-prefix/src/fftwBuild-stamp/fftwBuild-download] Error 1 make[1]: *** [src/contrib/fftw/CMakeFiles/fftwBuild.dir/all] Error 2 make: *** [all] Error 2 ) To deal with this error, I manually installed fftw-3.3.3 on my desktop but the major hurdle now is that I don't know how to proceed with Gromacs installation. Please can anyone guide me, I need help as Gromacs is a part of my academic work. ( I am a graduate student of biotechnology. ) -- 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.
Re: [gmx-users] Guidance on how to install Gromacs-5.0-beta2
Hello Yogendra, Remove -DGMX_BUILD_OWN_FFTW=ON argument and add CMAKE_PREFIX_PATH=/path/to/fftw I hope it works On Fri, Feb 21, 2014 at 4:31 PM, Yogendra Ramtirtha ramtirtha.yogen...@gmail.com wrote: Hello, Actually, I am trying to install Gromacs-5.0-beta2 on my systemwhich has Ubuntu 12.04. Everything went fine untill the make command which gives me the following error - ( [ 0%] Performing download step (verify and extract) for 'fftwBuild' -- verifying file... file='http:/www.fftw.org/fftw-3.3.3.tar.gz' -- verifying file... warning: did not verify file - no URL_HASH specified? -- extracting... src='/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/contrib/fftw/fftwBuild-prefix/src/http:/ www.fftw.org/fftw-3.3.3.tar.gz' dst='/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/contrib/fftw/fftwBuild-prefix/src/fftwBuild' CMake Error at fftwBuild-stamp/extract-fftwBuild.cmake:11 (message): error: file to extract does not exist: '/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/contrib/fftw/fftwBuild-prefix/src/http:/ www.fftw.org/fftw-3.3.3.tar.gz' make[2]: *** [src/contrib/fftw/fftwBuild-prefix/src/fftwBuild-stamp/fftwBuild-download] Error 1 make[1]: *** [src/contrib/fftw/CMakeFiles/fftwBuild.dir/all] Error 2 make: *** [all] Error 2 ) To deal with this error, I manually installed fftw-3.3.3 on my desktop but the major hurdle now is that I don't know how to proceed with Gromacs installation. Please can anyone guide me, I need help as Gromacs is a part of my academic work. ( I am a graduate student of biotechnology. ) -- 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. -- Thanks Regards, Pavan Kumar Project Engineer CDAC -KP Ph +91-7676367646 -- 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.
Re: [gmx-users] Guidance on how to install Gromacs-5.0-beta2
Thanks a lot I will try and let you know. On Fri, Feb 21, 2014 at 4:46 PM, Pavan Kumar kumar.pavan...@gmail.comwrote: Hello Yogendra, Remove -DGMX_BUILD_OWN_FFTW=ON argument and add CMAKE_PREFIX_PATH=/path/to/fftw I hope it works On Fri, Feb 21, 2014 at 4:31 PM, Yogendra Ramtirtha ramtirtha.yogen...@gmail.com wrote: Hello, Actually, I am trying to install Gromacs-5.0-beta2 on my systemwhich has Ubuntu 12.04. Everything went fine untill the make command which gives me the following error - ( [ 0%] Performing download step (verify and extract) for 'fftwBuild' -- verifying file... file='http:/www.fftw.org/fftw-3.3.3.tar.gz' -- verifying file... warning: did not verify file - no URL_HASH specified? -- extracting... src='/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/contrib/fftw/fftwBuild-prefix/src/http:/ www.fftw.org/fftw-3.3.3.tar.gz' dst='/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/contrib/fftw/fftwBuild-prefix/src/fftwBuild' CMake Error at fftwBuild-stamp/extract-fftwBuild.cmake:11 (message): error: file to extract does not exist: '/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/contrib/fftw/fftwBuild-prefix/src/http:/ www.fftw.org/fftw-3.3.3.tar.gz' make[2]: *** [src/contrib/fftw/fftwBuild-prefix/src/fftwBuild-stamp/fftwBuild-download] Error 1 make[1]: *** [src/contrib/fftw/CMakeFiles/fftwBuild.dir/all] Error 2 make: *** [all] Error 2 ) To deal with this error, I manually installed fftw-3.3.3 on my desktop but the major hurdle now is that I don't know how to proceed with Gromacs installation. Please can anyone guide me, I need help as Gromacs is a part of my academic work. ( I am a graduate student of biotechnology. ) -- 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. -- Thanks Regards, Pavan Kumar Project Engineer CDAC -KP Ph +91-7676367646 -- 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. -- 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.
Re: [gmx-users] Guidance on how to install Gromacs-5.0-beta2
Hello, Sorry to disturb you but can you please elaborate, since I tried the modified command but still it gives similar error as before. On Fri, Feb 21, 2014 at 10:49 PM, Yogendra Ramtirtha ramtirtha.yogen...@gmail.com wrote: Thanks a lot I will try and let you know. On Fri, Feb 21, 2014 at 4:46 PM, Pavan Kumar kumar.pavan...@gmail.comwrote: Hello Yogendra, Remove -DGMX_BUILD_OWN_FFTW=ON argument and add CMAKE_PREFIX_PATH=/path/to/fftw I hope it works On Fri, Feb 21, 2014 at 4:31 PM, Yogendra Ramtirtha ramtirtha.yogen...@gmail.com wrote: Hello, Actually, I am trying to install Gromacs-5.0-beta2 on my systemwhich has Ubuntu 12.04. Everything went fine untill the make command which gives me the following error - ( [ 0%] Performing download step (verify and extract) for 'fftwBuild' -- verifying file... file='http:/www.fftw.org/fftw-3.3.3.tar.gz' -- verifying file... warning: did not verify file - no URL_HASH specified? -- extracting... src='/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/contrib/fftw/fftwBuild-prefix/src/http:/ www.fftw.org/fftw-3.3.3.tar.gz' dst='/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/contrib/fftw/fftwBuild-prefix/src/fftwBuild' CMake Error at fftwBuild-stamp/extract-fftwBuild.cmake:11 (message): error: file to extract does not exist: '/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/contrib/fftw/fftwBuild-prefix/src/http:/ www.fftw.org/fftw-3.3.3.tar.gz' make[2]: *** [src/contrib/fftw/fftwBuild-prefix/src/fftwBuild-stamp/fftwBuild-download] Error 1 make[1]: *** [src/contrib/fftw/CMakeFiles/fftwBuild.dir/all] Error 2 make: *** [all] Error 2 ) To deal with this error, I manually installed fftw-3.3.3 on my desktop but the major hurdle now is that I don't know how to proceed with Gromacs installation. Please can anyone guide me, I need help as Gromacs is a part of my academic work. ( I am a graduate student of biotechnology. ) -- 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. -- Thanks Regards, Pavan Kumar Project Engineer CDAC -KP Ph +91-7676367646 -- 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. -- 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.
Re: [gmx-users] Guidance on how to install Gromacs-5.0-beta2
On 2/21/14, 1:29 PM, Yogendra Ramtirtha wrote: Hello, Sorry to disturb you but can you please elaborate, since I tried the modified command but still it gives similar error as before. Did you start from a clean build directory? -Justin On Fri, Feb 21, 2014 at 10:49 PM, Yogendra Ramtirtha ramtirtha.yogen...@gmail.com wrote: Thanks a lot I will try and let you know. On Fri, Feb 21, 2014 at 4:46 PM, Pavan Kumar kumar.pavan...@gmail.comwrote: Hello Yogendra, Remove -DGMX_BUILD_OWN_FFTW=ON argument and add CMAKE_PREFIX_PATH=/path/to/fftw I hope it works On Fri, Feb 21, 2014 at 4:31 PM, Yogendra Ramtirtha ramtirtha.yogen...@gmail.com wrote: Hello, Actually, I am trying to install Gromacs-5.0-beta2 on my systemwhich has Ubuntu 12.04. Everything went fine untill the make command which gives me the following error - ( [ 0%] Performing download step (verify and extract) for 'fftwBuild' -- verifying file... file='http:/www.fftw.org/fftw-3.3.3.tar.gz' -- verifying file... warning: did not verify file - no URL_HASH specified? -- extracting... src='/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/contrib/fftw/fftwBuild-prefix/src/http:/ www.fftw.org/fftw-3.3.3.tar.gz' dst='/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/contrib/fftw/fftwBuild-prefix/src/fftwBuild' CMake Error at fftwBuild-stamp/extract-fftwBuild.cmake:11 (message): error: file to extract does not exist: '/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/contrib/fftw/fftwBuild-prefix/src/http:/ www.fftw.org/fftw-3.3.3.tar.gz' make[2]: *** [src/contrib/fftw/fftwBuild-prefix/src/fftwBuild-stamp/fftwBuild-download] Error 1 make[1]: *** [src/contrib/fftw/CMakeFiles/fftwBuild.dir/all] Error 2 make: *** [all] Error 2 ) To deal with this error, I manually installed fftw-3.3.3 on my desktop but the major hurdle now is that I don't know how to proceed with Gromacs installation. Please can anyone guide me, I need help as Gromacs is a part of my academic work. ( I am a graduate student of biotechnology. ) -- 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. -- Thanks Regards, Pavan Kumar Project Engineer CDAC -KP Ph +91-7676367646 -- 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. -- == Justin A. Lemkul, Ph.D. Ruth L. Kirschstein NRSA Postdoctoral Fellow Department of Pharmaceutical Sciences School of Pharmacy Health Sciences Facility II, Room 601 University of Maryland, Baltimore 20 Penn St. Baltimore, MD 21201 jalem...@outerbanks.umaryland.edu | (410) 706-7441 http://mackerell.umaryland.edu/~jalemkul == -- 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.
Re: [gmx-users] Guidance on how to install Gromacs-5.0-beta2
Actually, I used the build directory which was created earlier. Should I create a new build directory all over again ? Can you please guide me. Thanks On Sat, Feb 22, 2014 at 12:12 AM, Justin Lemkul jalem...@vt.edu wrote: On 2/21/14, 1:29 PM, Yogendra Ramtirtha wrote: Hello, Sorry to disturb you but can you please elaborate, since I tried the modified command but still it gives similar error as before. Did you start from a clean build directory? -Justin On Fri, Feb 21, 2014 at 10:49 PM, Yogendra Ramtirtha ramtirtha.yogen...@gmail.com wrote: Thanks a lot I will try and let you know. On Fri, Feb 21, 2014 at 4:46 PM, Pavan Kumar kumar.pavan...@gmail.com wrote: Hello Yogendra, Remove -DGMX_BUILD_OWN_FFTW=ON argument and add CMAKE_PREFIX_PATH=/path/to/fftw I hope it works On Fri, Feb 21, 2014 at 4:31 PM, Yogendra Ramtirtha ramtirtha.yogen...@gmail.com wrote: Hello, Actually, I am trying to install Gromacs-5.0-beta2 on my systemwhich has Ubuntu 12.04. Everything went fine untill the make command which gives me the following error - ( [ 0%] Performing download step (verify and extract) for 'fftwBuild' -- verifying file... file='http:/www.fftw.org/fftw-3.3.3.tar.gz' -- verifying file... warning: did not verify file - no URL_HASH specified? -- extracting... src='/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/ contrib/fftw/fftwBuild-prefix/src/http:/ www.fftw.org/fftw-3.3.3.tar.gz' dst='/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/ contrib/fftw/fftwBuild-prefix/src/fftwBuild' CMake Error at fftwBuild-stamp/extract-fftwBuild.cmake:11 (message): error: file to extract does not exist: '/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/ contrib/fftw/fftwBuild-prefix/src/http:/ www.fftw.org/fftw-3.3.3.tar.gz' make[2]: *** [src/contrib/fftw/fftwBuild-prefix/src/fftwBuild-stamp/ fftwBuild-download] Error 1 make[1]: *** [src/contrib/fftw/CMakeFiles/fftwBuild.dir/all] Error 2 make: *** [all] Error 2 ) To deal with this error, I manually installed fftw-3.3.3 on my desktop but the major hurdle now is that I don't know how to proceed with Gromacs installation. Please can anyone guide me, I need help as Gromacs is a part of my academic work. ( I am a graduate student of biotechnology. ) -- 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. -- Thanks Regards, Pavan Kumar Project Engineer CDAC -KP Ph +91-7676367646 -- 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. -- == Justin A. Lemkul, Ph.D. Ruth L. Kirschstein NRSA Postdoctoral Fellow Department of Pharmaceutical Sciences School of Pharmacy Health Sciences Facility II, Room 601 University of Maryland, Baltimore 20 Penn St. Baltimore, MD 21201 jalem...@outerbanks.umaryland.edu | (410) 706-7441 http://mackerell.umaryland.edu/~jalemkul == -- 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. -- 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.
