Hello everyone, I have a problem when installing gromacs-3.2.1. version with the patch for pme.c, which I have downloaded from the web. I would like to know whether this patch can only be used with gromacs-3.3 or I can install it with 3.2.1 version. In the last case, could you give me any clue about how to solve my error?(posted at the end).
I have already done some dynamics with 3.2.1 version so I am trying to avoid changing to 3.3 version. In the case I can not solve the problem with pme, would you recommend me to do it? Could I compare the new results with the previous or there are going to be important differences between them? Looking forward for your suggestions, Eva The error I get after executing "Configure" and "make" is the following: cc -DHAVE_CONFIG_H -I. -I. -I../../src -I/usr/X11R6/include -I../../include -DGMXLIBDIR=\"/home/esantos/usr/local2/nou_gromacs-3.2.1/gromacs/share/top\" -I/usr/local/mpich-1.2.5.2/include -I/usr/include/libxml2 -O6 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -malign-double -funroll-all-loops -I/usr/include/libxml2 -MT pme.lo -MD -MP -MF .deps/pme.Tpo -c pme.c -o pme.o pme.c:341: conflicting types for `sum_qgrid' ../../include/pme.h:65: previous declaration of `sum_qgrid' pme.c: In function `sum_qgrid': pme.c:461: warning: implicit declaration of function `gmx_fatal' pme.c:461: `FARGS' undeclared (first use in this function) pme.c:461: (Each undeclared identifier is reported only once pme.c:461: for each function it appears in.) pme.c: In function `solve_pme': pme.c:696: `FARGS' undeclared (first use in this function) pme.c: At top level: pme.c:1142: conflicting types for `init_pme' ../../include/pme.h:69: previous declaration of `init_pme' pme.c: In function `init_pme': pme.c:1167: `FARGS' undeclared (first use in this function) pme.c:1193: warning: passing arg 5 of `mk_fftgrid' makes integer from pointer without a cast pme.c:1193: too few arguments to function `mk_fftgrid' pme.c:1196: warning: passing arg 5 of `mk_fftgrid' makes integer from pointer without a cast pme.c:1196: too few arguments to function `mk_fftgrid' pme.c: At top level: pme.c:1209: conflicting types for `spread_on_grid' ../../include/pme.h:77: previous declaration of `spread_on_grid' pme.c:1245: conflicting types for `do_pme' ../../include/pme.h:58: previous declaration of `do_pme' pme.c: In function `do_pme': pme.c:1295: `FARGS' undeclared (first use in this function) pme.c:1352: `GMX_FFT_REAL_TO_COMPLEX' undeclared (first use in this function) pme.c:1376: `GMX_FFT_COMPLEX_TO_REAL' undeclared (first use in this function) make[3]: *** [pme.lo] Error 1 make[3]: Leaving directory `/home/esantos/usr/local2/nou_gromacs-3.2.1/gromacs-3.2.1/src/mdlib' make[2]: *** [all-recursive] Error 1 make[2]: Leaving directory `/home/esantos/usr/local2/nou_gromacs-3.2.1/gromacs-3.2.1/src' make[1]: *** [all] Error 2 make[1]: Leaving directory `/home/esantos/usr/local2/nou_gromacs-3.2.1/gromacs-3.2.1/src' make: *** [all-recursive] Error 1 _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
