Re: Subject: [gmx-users] error compiling mopac and gromacs
According to the suggestion I have installed the f2c package in my machine.I am unable to find the g2c package. I have included the f2c library by - export LIBS=-lmopac -lf2c. But when I running ./configure --with-qmmm-mopac --disable-float , an error is comming C compiler cannot create executable. The config.log file shows the following section- onfigure:3413: checking for C compiler default output file name configure:3440: cc -I/usr/local/include -DUSE_MOPAC -L/usr/local/lib conftest.c -lmopac -lf2c 5 /usr/lib/gcc/i486-linux-gnu/4.3.3/../../../../lib/libf2c.so: undefined reference to `MAIN__' collect2: ld returned 1 exit status configure:3443: $? = 1 configure:3481: result: configure: failed program was: | /* confdefs.h. */ Please suggest a way out.Subarna Thakur From: Gerrit Groenhof ggro...@gwdg.de To: gmx-users@gromacs.org Sent: Sat, 12 June, 2010 3:36:54 PM Subject: Re: Subject: [gmx-users] error compiling mopac and gromacs Depending on how your libmopac.a was biuld, you need the to include the f2c or g2c library as well. Gerrit Message: 5 Date: Sat, 12 Jun 2010 14:33:02 +0530 (IST) From: subarna thakur thakur.suba...@yahoo.co.in Subject: [gmx-users] error compiling mopac and gromacs To: gmx-users@gromacs.org Message-ID: 371899.78968...@web95516.mail.in.yahoo.com Content-Type: text/plain; charset=iso-8859-1 Hi I am trying to link mopac with gromacs in a 32 bit linux machine. I have downloaded the libmopac.a file and kept it under /usr/local/lib. I installed fftw with double precision and then I set the enviornmental variables for linking mopac and gromacs export LDFLAGS=-L/usr/local/lib -Wl,--wrap,__ctype_b export CPPFLAGS=/usr/local/include -DUSE_MOPAC export LIBS=lmopac then I have ran the ./configure --with-qmmm-mopac --disable-float.It seems to run ok.Then I used the make command but an error is comming as follows- /usr/local/lib/libmopac.a(lread.o)(.text+0x160): In function `e_rsle': : undefined reference to `__wrap___ctype_b' /usr/local/lib/libmopac.a(lread.o)(.text+0x21f): In function `e_rsle': : undefined reference to `__wrap___ctype_b' /usr/local/lib/libmopac.a(lread.o)(.text+0x296): In function `e_rsle': : undefined reference to `__wrap___ctype_b' /usr/local/lib/libmopac.a(lread.o)(.text+0x2d0): In function `e_rsle': : undefined reference to `__wrap___ctype_b' /usr/local/lib/libmopac.a(lread.o)(.text+0x8b2): In function `e_rsle': : undefined reference to `__wrap___ctype_b' /usr/local/lib/libmopac.a(lread.o)(.text+0xb05): more undefined references to `__wrap___ctype_b' follow collect2: ld returned 1 exit status make[3]: *** [grompp] Error 1 make[3]: Leaving directory `/usr/gromacs-4.0.3/src/kernel' make[2]: *** [all-recursive] Error 1 make[2]: Leaving directory `/usr/gromacs-4.0.3/src' make[1]: *** [all] Error 2 make[1]: Leaving directory `/usr/gromacs-4.0.3/src' make: *** [all-recursive] Error 1 Please suggest where I have gone wrong. Subarna Thakur -- next part -- An HTML attachment was scrubbed... URL: http://lists.gromacs.org/pipermail/gmx-users/attachments/20100612/ed0e12b1/attachment.html -- -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! End of gmx-users Digest, Vol 74, Issue 69 * -- Gerrit Groenhof MPI biophysical chemistry Goettingen Germany http://wwwuser.gwdg.de/~ggroenh/ -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
[gmx-users] error compiling mopac and gromacs
Hi I am trying to link mopac with gromacs in a 32 bit linux machine. I have downloaded the libmopac.a file and kept it under /usr/local/lib. I installed fftw with double precision and then I set the enviornmental variables for linking mopac and gromacs export LDFLAGS=-L/usr/local/lib -Wl,--wrap,__ctype_b export CPPFLAGS=/usr/local/include -DUSE_MOPAC export LIBS=lmopac then I have ran the ./configure --with-qmmm-mopac --disable-float.It seems to run ok.Then I used the make command but an error is comming as follows- /usr/local/lib/libmopac.a(lread.o)(.text+0x160): In function `e_rsle': : undefined reference to `__wrap___ctype_b' /usr/local/lib/libmopac.a(lread.o)(.text+0x21f): In function `e_rsle': : undefined reference to `__wrap___ctype_b' /usr/local/lib/libmopac.a(lread.o)(.text+0x296): In function `e_rsle': : undefined reference to `__wrap___ctype_b' /usr/local/lib/libmopac.a(lread.o)(.text+0x2d0): In function `e_rsle': : undefined reference to `__wrap___ctype_b' /usr/local/lib/libmopac.a(lread.o)(.text+0x8b2): In function `e_rsle': : undefined reference to `__wrap___ctype_b' /usr/local/lib/libmopac.a(lread.o)(.text+0xb05): more undefined references to `__wrap___ctype_b' follow collect2: ld returned 1 exit status make[3]: *** [grompp] Error 1 make[3]: Leaving directory `/usr/gromacs-4.0.3/src/kernel' make[2]: *** [all-recursive] Error 1 make[2]: Leaving directory `/usr/gromacs-4.0.3/src' make[1]: *** [all] Error 2 make[1]: Leaving directory `/usr/gromacs-4.0.3/src' make: *** [all-recursive] Error 1 Please suggest where I have gone wrong. Subarna Thakur -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
Re: Subject: [gmx-users] error compiling mopac and gromacs
Depending on how your libmopac.a was biuld, you need the to include the f2c or g2c library as well. Gerrit Message: 5 Date: Sat, 12 Jun 2010 14:33:02 +0530 (IST) From: subarna thakur thakur.suba...@yahoo.co.in Subject: [gmx-users] error compiling mopac and gromacs To: gmx-users@gromacs.org Message-ID: 371899.78968...@web95516.mail.in.yahoo.com Content-Type: text/plain; charset=iso-8859-1 Hi I am trying to link mopac with gromacs in a 32 bit linux machine. I have downloaded the libmopac.a file and kept it under /usr/local/lib. I installed fftw with double precision and then I set the enviornmental variables for linking mopac and gromacs export LDFLAGS=-L/usr/local/lib -Wl,--wrap,__ctype_b export CPPFLAGS=/usr/local/include -DUSE_MOPAC export LIBS=lmopac then I have ran the ./configure --with-qmmm-mopac --disable-float.It seems to run ok.Then I used the make command but an error is comming as follows- /usr/local/lib/libmopac.a(lread.o)(.text+0x160): In function `e_rsle': : undefined reference to `__wrap___ctype_b' /usr/local/lib/libmopac.a(lread.o)(.text+0x21f): In function `e_rsle': : undefined reference to `__wrap___ctype_b' /usr/local/lib/libmopac.a(lread.o)(.text+0x296): In function `e_rsle': : undefined reference to `__wrap___ctype_b' /usr/local/lib/libmopac.a(lread.o)(.text+0x2d0): In function `e_rsle': : undefined reference to `__wrap___ctype_b' /usr/local/lib/libmopac.a(lread.o)(.text+0x8b2): In function `e_rsle': : undefined reference to `__wrap___ctype_b' /usr/local/lib/libmopac.a(lread.o)(.text+0xb05): more undefined references to `__wrap___ctype_b' follow collect2: ld returned 1 exit status make[3]: *** [grompp] Error 1 make[3]: Leaving directory `/usr/gromacs-4.0.3/src/kernel' make[2]: *** [all-recursive] Error 1 make[2]: Leaving directory `/usr/gromacs-4.0.3/src' make[1]: *** [all] Error 2 make[1]: Leaving directory `/usr/gromacs-4.0.3/src' make: *** [all-recursive] Error 1 Please suggest where I have gone wrong. Subarna Thakur -- next part -- An HTML attachment was scrubbed... URL: http://lists.gromacs.org/pipermail/gmx-users/attachments/20100612/ed0e12b1/attachment.html -- -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! End of gmx-users Digest, Vol 74, Issue 69 * -- Gerrit Groenhof MPI biophysical chemistry Goettingen Germany http://wwwuser.gwdg.de/~ggroenh/ -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
