Dear Users I have tried installing both versions 4.6.5 and 4.6.7 in the Intel cluster at my university. I have tried with both Intel compilers as well as GNU compilers. During installation I have checked that Cmake is automatically detecting Openmp and AVX 256.
Also , I keep -DGMX_BUILD_OWN_FFTW=ON. However , still at the last step of make install I am getting the following error :- terminate called after throwing an instance of 'std::bad_alloc' what(): std::bad_alloc make: *** [install] Aborted I searched in the web but could not find such an error associated with GROMACS installation. Then I separately tried installing "mdrun" only from version 4.6.5 and I could do that. I also checked that it operates as follows :- ./mdrun. However I need to install the full package. Kindly help with suggestions. ---------- Forwarded message ---------- From: suresh kannan <[email protected]> To: [email protected] Cc: Date: Sun, 9 Nov 2014 22:46:29 +0900 Subject: Re: [gmx-users] Installing GROMACS 4.6.7 on Intel Cluster >>>I am thinking of using "gcc" and "g++" now. Kindly provide further suggestions. http://hpc.ucla.edu/hoffman2/software/compilers http://lmgtfy.com/?q=difference+between+gcc+and+g%2B%2B http://lmgtfy.com/?q=gcc+compiler+installation+linux < https://mail.google.com/mail/u/0/?ui=2&ik=4d6c0a5051&view=att&th=149643f024d7d537&attid=0.1&disp=safe&realattid=f_i1wzdfrg0&zw > On Sun, Nov 9, 2014 at 9:42 AM, Agnivo Gosai <[email protected]> wrote: > Dear Users > > I figured out from the trailing mails as to how to use the "new installed > version of CMAKE" for installing GROMACS > > I used -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_INSTALL_PREFIX=....... .. . > By default I think "icc" and "icpc" compilers were chosen. > > This step progressed smoothly. So , next I issued the command : "make". > This step also completed without any error messages. > > However "make install" did not finish as expected. The installation process > looked like a never ending process. Ultimately the following error message > came up : > > terminate called after throwing an instance of 'std::bad_alloc' > what(): std::bad_alloc > make: *** [install] Aborted > > I do not understand what to do next. I am thinking of using "gcc" and "g++" > now. Kindly provide further suggestions. > > > > ------------------------------------------------------------------------------------------------------------------------------------ > Thanks & Regards Agnivo Gosai Grad Student, Iowa State University. -- 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 [email protected].
