Almost forgot that this was still unanswered on the mailing list, problem is resolved by now.
To conclude: There was a manually installed fftw3 on the system which was compiled for static use only (missing the -fPIC flag). After removing it, VOTCA & Gromacs compiled fine as shared with system fftw3 (don't forget the dev package!). Victor 2011/10/20 Patrick Kiley <[email protected]>: > Hi Christoph, > > So I am still trying to compile votca, but this time static, by using my own > modified version of the AIX script (please see attached). Sadly, I am > getting the same error as usual. > > I get this error: > > CMake Error at CMakeModules/FindGROMACS.cmake:81 (message): > Could not find GromacsVersion in /usr/local/gromacs/lib/libgmx_d.a;, take > look at the error message in > /home/patrick/votca/src/csg/CMakeFiles/CMakeError.log to find out what was > going wrong. If you don't have pkg-config installed you will most likely > have to set GROMACS_LIBRARY and GROMACS_DEP_LIBRARY by hand which sets the > gromacs lib and it's depencies (i.e. > -DGROMACS_LIBRARY='/path/to/libgmx.so' > -DGROMACS_DEP_LIBRARIES='/path/to/libblas.so;/path/to/libm.so') ! > Call Stack (most recent call first): > src/libcsg/CMakeLists.txt:23 (find_package) > > > -- Configuring incomplete, errors occurred! > > > > > > On Wed, Oct 12, 2011 at 2:51 PM, Christoph Junghans <[email protected]> > wrote: >> >> Hi, >> >> that is why I would use a shared version of libgmx (libgmx.so), >> all these 'undefined reference' below are coming from libraries libgmx >> depends on, e.g. libm, libpthreads and libdl. So either you add libm >> and libthreads to GROMACS_DEP_LIBRARIES (like the error message >> suggests) or just recompile gromacs with --enable-shared when using >> configure. >> >> You could also build gromacs using build.sh, then it is shared by >> default as it uses gromacs' cmake files. >> >> Cheers, >> >> Christoph >> >> Am 12. Oktober 2011 12:24 schrieb Patrick Kiley <[email protected]>: >> > Hi Christoph, >> > >> > I think I have made more progress, but am still getting stuck. I >> > deleted >> > the whole directory and started over. This time I compiled VOTCA this >> > way: >> > ./build.sh --prefix ${prefix} -DGMX_DOUBLE=ON tools csg >> > >> > The result was that it found libgmx_d this time. However, it died with >> > this >> > error: >> > >> > -- checking for module 'libgmx_d' >> > -- found libgmx_d, version 4.5.4 >> > -- Looking for GromacsVersion in /usr/local/gromacs/lib/libgmx_d.a; >> > -- Looking for GromacsVersion in /usr/local/gromacs/lib/libgmx_d.a; - >> > not >> > found >> > CMake Error at CMakeModules/FindGROMACS.cmake:81 (message): >> > Could not find GromacsVersion in /usr/local/gromacs/lib/libgmx_d.a;, >> > take >> > look at the error message in >> > /home/patrick/votca/src/csg/CMakeFiles/CMakeError.log to find out what >> > was >> > going wrong. If you don't have pkg-config installed you will most >> > likely >> > have to set GROMACS_LIBRARY and GROMACS_DEP_LIBRARY by hand which sets >> > the >> > gromacs lib and it's depencies (i.e. >> > -DGROMACS_LIBRARY='/path/to/libgmx.so' >> > -DGROMACS_DEP_LIBRARIES='/path/to/libblas.so;/path/to/libm.so') ! >> > Call Stack (most recent call first): >> > src/libcsg/CMakeLists.txt:23 (find_package) >> > >> > >> > Here is the contents of >> > /home/patrick/votca/src/csg/CMakeFiles/CMakeError.log: >> > >> > Determining if the function GromacsVersion exists in the >> > /usr/local/gromacs/lib/libgmx_d.a; failed with the following output: >> > Change Dir: /home/patrick/votca/src/csg/CMakeFiles/CMakeTmp >> > >> > Run Build Command:/usr/bin/make "cmTryCompileExec/fast" >> > /usr/bin/make -f CMakeFiles/cmTryCompileExec.dir/build.make >> > CMakeFiles/cmTryCompileExec.dir/build >> > make[1]: Entering directory >> > `/home/patrick/votca/src/csg/CMakeFiles/CMakeTmp' >> > /usr/local/bin/cmake -E cmake_progress_report >> > /home/patrick/votca/src/csg/CMakeFiles/CMakeTmp/CMakeFiles 1 >> > Building C object >> > CMakeFiles/cmTryCompileExec.dir/CheckFunctionExists.c.o >> > /usr/bin/gcc -DCHECK_FUNCTION_EXISTS=GromacsVersion -o >> > CMakeFiles/cmTryCompileExec.dir/CheckFunctionExists.c.o -c >> > /usr/local/share/cmake-2.8/Modules/CheckFunctionExists.c >> > Linking C executable cmTryCompileExec >> > /usr/local/bin/cmake -E cmake_link_script >> > CMakeFiles/cmTryCompileExec.dir/link.txt --verbose=1 >> > /usr/bin/gcc -DCHECK_FUNCTION_EXISTS=GromacsVersion >> > CMakeFiles/cmTryCompileExec.dir/CheckFunctionExists.c.o -o >> > cmTryCompileExec >> > -rdynamic /usr/local/gromacs/lib/libgmx_d.a >> > /usr/local/gromacs/lib/libgmx_d.a(pthreads.c.o): In function >> > `tMPI_Thread_key_delete': >> > pthreads.c:(.text+0x619): undefined reference to `pthread_key_delete' >> > /usr/local/gromacs/lib/libgmx_d.a(pthreads.c.o): In function >> > `tMPI_Thread_key_create': >> > pthreads.c:(.text+0x68e): undefined reference to `pthread_key_create' >> > /usr/local/gromacs/lib/libgmx_d.a(pthreads.c.o): In function >> > `tMPI_Thread_join': >> > pthreads.c:(.text+0x800): undefined reference to `pthread_join' >> > /usr/local/gromacs/lib/libgmx_d.a(pthreads.c.o): In function >> > `tMPI_Thread_create': >> > pthreads.c:(.text+0x87a): undefined reference to `pthread_create' >> > /usr/local/gromacs/lib/libgmx_d.a(pthreads.c.o): In function >> > `tMPI_Thread_cancel': >> > pthreads.c:(.text+0x174): undefined reference to `pthread_cancel' >> > /usr/local/gromacs/lib/libgmx_d.a(pthreads.c.o): In function >> > `tMPI_Thread_setspecific': >> > pthreads.c:(.text+0x1ff): undefined reference to `pthread_setspecific' >> > /usr/local/gromacs/lib/libgmx_d.a(pthreads.c.o): In function >> > `tMPI_Thread_getspecific': >> > pthreads.c:(.text+0x21c): undefined reference to `pthread_getspecific' >> > /usr/local/gromacs/lib/libgmx_d.a(pthreads.c.o): In function >> > `tMPI_Thread_mutex_trylock': >> > pthreads.c:(.text+0x925): undefined reference to `pthread_mutex_trylock' >> > /usr/local/gromacs/lib/libgmx_d.a(pbc.c.o): In function `low_set_pbc': >> > pbc.c:(.text+0x71a0): undefined reference to `sqrt' >> > pbc.c:(.text+0x7763): undefined reference to `sqrt' >> > pbc.c:(.text+0x7800): undefined reference to `sqrt' >> > /usr/local/gromacs/lib/libgmx_d.a(bondfree.c.o): In function `dopdihs': >> > bondfree.c:(.text+0x780): undefined reference to `sincos' >> > /usr/local/gromacs/lib/libgmx_d.a(bondfree.c.o): In function >> > `FENE_bonds': >> > bondfree.c:(.text+0x2256): undefined reference to `log' >> > /usr/local/gromacs/lib/libgmx_d.a(bondfree.c.o): In function >> > `morse_bonds': >> > bondfree.c:(.text+0x2d83): undefined reference to `exp' >> > /usr/local/gromacs/lib/libgmx_d.a(bondfree.c.o): In function >> > `low_angres': >> > bondfree.c:(.text+0x58a2): undefined reference to `acos' >> > bondfree.c:(.text+0x5973): undefined reference to `sincos' >> > /usr/local/gromacs/lib/libgmx_d.a(bondfree.c.o): In function >> > `dih_angle': >> > bondfree.c:(.text+0x6648): undefined reference to `atan2' >> > /usr/local/gromacs/lib/libgmx_d.a(bondfree.c.o): In function `rbdihs': >> > bondfree.c:(.text+0x6c5d): undefined reference to `sincos' >> > /usr/local/gromacs/lib/libgmx_d.a(bondfree.c.o): In function `pdihs': >> > bondfree.c:(.text+0x76d7): undefined reference to `sincos' >> > /usr/local/gromacs/lib/libgmx_d.a(bondfree.c.o): In function >> > `cmap_dihs': >> > bondfree.c:(.text+0x9ec6): undefined reference to `cos' >> > bondfree.c:(.text+0xa12e): undefined reference to `sqrt' >> > bondfree.c:(.text+0xa1b8): undefined reference to `asin' >> > bondfree.c:(.text+0xa2bf): undefined reference to `cos' >> > bondfree.c:(.text+0xa528): undefined reference to `sqrt' >> > bondfree.c:(.text+0xa5b9): undefined reference to `asin' >> > bondfree.c:(.text+0xa757): undefined reference to `acos' >> > bondfree.c:(.text+0xa7aa): undefined reference to `acos' >> > /usr/local/gromacs/lib/libgmx_d.a(bondfree.c.o): In function >> > `do_1_thole': >> > bondfree.c:(.text+0xb0dc): undefined reference to `exp' >> > /usr/local/gromacs/lib/libgmx_d.a(bondfree.c.o): In function >> > `thole_pol': >> > bondfree.c:(.text+0xb3b3): undefined reference to `pow' >> > /usr/local/gromacs/lib/libgmx_d.a(bondfree.c.o): In function >> > `tab_angles': >> > bondfree.c:(.text+0xc61b): undefined reference to `acos' >> > /usr/local/gromacs/lib/libgmx_d.a(bondfree.c.o): In function >> > `quartic_angles': >> > bondfree.c:(.text+0xd11c): undefined reference to `acos' >> > /usr/local/gromacs/lib/libgmx_d.a(bondfree.c.o): In function >> > `urey_bradley': >> > bondfree.c:(.text+0xdb95): undefined reference to `acos' >> > /usr/local/gromacs/lib/libgmx_d.a(bondfree.c.o): In function `angles': >> > bondfree.c:(.text+0xeae9): undefined reference to `acos' >> > /usr/local/gromacs/lib/libgmx_d.a(bondfree.c.o): In function >> > `bond_angle': >> > bondfree.c:(.text+0xb97b): undefined reference to `acos' >> > /usr/local/gromacs/lib/libgmx_d.a(orires.c.o): In function `orires': >> > orires.c:(.text+0x9af): undefined reference to `sqrt' >> > /usr/local/gromacs/lib/libgmx_d.a(orires.c.o): In function >> > `init_orires': >> > orires.c:(.text+0x2190): undefined reference to `exp' >> > /usr/local/gromacs/lib/libgmx_d.a(orires.c.o): In function >> > `calc_orires_dev': >> > orires.c:(.text+0x3dcf): undefined reference to `sqrt' >> > /usr/local/gromacs/lib/libgmx_d.a(disre.c.o): In function `ta_disres': >> > disre.c:(.text+0x366): undefined reference to `pow' >> > disre.c:(.text+0x392): undefined reference to `pow' >> > disre.c:(.text+0x676): undefined reference to `pow' >> > disre.c:(.text+0x8ed): undefined reference to `pow' >> > disre.c:(.text+0x91b): undefined reference to `pow' >> > /usr/local/gromacs/lib/libgmx_d.a(disre.c.o):disre.c:(.text+0xa2e): more >> > undefined references to `pow' follow >> > /usr/local/gromacs/lib/libgmx_d.a(disre.c.o): In function `ta_disres': >> > disre.c:(.text+0xc27): undefined reference to `sqrt' >> > /usr/local/gromacs/lib/libgmx_d.a(disre.c.o): In function >> > `calc_disres_R_6': >> > disre.c:(.text+0xfea): undefined reference to `sqrt' >> > /usr/local/gromacs/lib/libgmx_d.a(disre.c.o): In function `init_disres': >> > disre.c:(.text+0x1533): undefined reference to `exp' >> > /usr/local/gromacs/lib/libgmx_d.a(nonbonded.c.o): In function >> > `do_listed_vdw_q': >> > nonbonded.c:(.text+0x397): undefined reference to `sqrt' >> > nonbonded.c:(.text+0xd44): undefined reference to `sqrt' >> > nonbonded.c:(.text+0xd98): undefined reference to `sqrt' >> > /usr/local/gromacs/lib/libgmx_d.a(nb_generic_cg.c.o): In function >> > `gmx_nb_generic_cg_kernel': >> > nb_generic_cg.c:(.text+0xf0b): undefined reference to `exp' >> > /usr/local/gromacs/lib/libgmx_d.a(nb_free_energy.c.o): In function >> > `gmx_nb_free_energy_kernel': >> > nb_free_energy.c:(.text+0x9bf): undefined reference to `pow' >> > nb_free_energy.c:(.text+0xc18): undefined reference to `pow' >> > nb_free_energy.c:(.text+0x14f5): undefined reference to `exp' >> > /usr/local/gromacs/lib/libgmx_d.a(nb_kernel320.c.o): In function >> > `nb_kernel320nf': >> > nb_kernel320.c:(.text+0x3c0): undefined reference to `exp' >> > /usr/local/gromacs/lib/libgmx_d.a(nb_kernel320.c.o): In function >> > `nb_kernel320': >> > nb_kernel320.c:(.text+0x9f3): undefined reference to `exp' >> > /usr/local/gromacs/lib/libgmx_d.a(maths.c.o): In function >> > `fast_float_erfc': >> > maths.c:(.text+0x133): undefined reference to `exp' >> > /usr/local/gromacs/lib/libgmx_d.a(maths.c.o): In function >> > `fast_float_erf': >> > maths.c:(.text+0x217): undefined reference to `exp' >> > /usr/local/gromacs/lib/libgmx_d.a(maths.c.o):maths.c:(.text+0x581): more >> > undefined references to `exp' follow >> > /usr/local/gromacs/lib/libgmx_d.a(maths.c.o): In function `cuberoot': >> > maths.c:(.text+0xcac): undefined reference to `pow' >> > maths.c:(.text+0xc8b): undefined reference to `pow' >> > /usr/local/gromacs/lib/libgmx_d.a(do_fit.c.o): In function >> > `calc_similar_ind': >> > do_fit.c:(.text+0x4379): undefined reference to `sqrt' >> > do_fit.c:(.text+0x4391): undefined reference to `sqrt' >> > /usr/local/gromacs/lib/libgmx_d.a(do_fit.c.o): In function `rhodev': >> > do_fit.c:(.text+0x7187): undefined reference to `sqrt' >> > /usr/local/gromacs/lib/libgmx_d.a(do_fit.c.o): In function `rhodev_ind': >> > do_fit.c:(.text+0x72aa): undefined reference to `sqrt' >> > /usr/local/gromacs/lib/libgmx_d.a(do_fit.c.o): In function `rmsdev': >> > do_fit.c:(.text+0x77a1): undefined reference to `sqrt' >> > /usr/local/gromacs/lib/libgmx_d.a(do_fit.c.o):do_fit.c:(.text+0x79ce): >> > more >> > undefined references to `sqrt' follow >> > /usr/local/gromacs/lib/libgmx_d.a(trxio.c.o): In function `prec2ndec': >> > trxio.c:(.text+0x577): undefined reference to `log' >> > /usr/local/gromacs/lib/libgmx_d.a(pdbio.c.o): In function `read_cryst1': >> > pdbio.c:(.text+0x2018): undefined reference to `cos' >> > pdbio.c:(.text+0x206c): undefined reference to `cos' >> > pdbio.c:(.text+0x20b9): undefined reference to `sincos' >> > pdbio.c:(.text+0x214c): undefined reference to `sqrt' >> > /usr/local/gromacs/lib/libgmx_d.a(pdbio.c.o): In function >> > `gmx_write_pdb_box': >> > pdbio.c:(.text+0x4511): undefined reference to `acos' >> > pdbio.c:(.text+0x45b8): undefined reference to `acos' >> > pdbio.c:(.text+0x4674): undefined reference to `acos' >> > pdbio.c:(.text+0x46d8): undefined reference to `sqrt' >> > pdbio.c:(.text+0x4718): undefined reference to `sqrt' >> > pdbio.c:(.text+0x4758): undefined reference to `sqrt' >> > /usr/local/gromacs/lib/libgmx_d.a(nb_generic.c.o): In function >> > `gmx_nb_generic_kernel': >> > nb_generic.c:(.text+0xb25): undefined reference to `exp' >> > /usr/local/gromacs/lib/libgmx_d.a(nb_kernel120.c.o): In function >> > `nb_kernel120nf': >> > nb_kernel120.c:(.text+0x34d): undefined reference to `exp' >> > /usr/local/gromacs/lib/libgmx_d.a(nb_kernel120.c.o): In function >> > `nb_kernel120': >> > nb_kernel120.c:(.text+0x8c8): undefined reference to `exp' >> > /usr/local/gromacs/lib/libgmx_d.a(nb_kernel124.c.o): In function >> > `nb_kernel124nf': >> > nb_kernel124.c:(.text+0xc99): undefined reference to `exp' >> > /usr/local/gromacs/lib/libgmx_d.a(nb_kernel124.c.o): In function >> > `nb_kernel124': >> > nb_kernel124.c:(.text+0x21f9): undefined reference to `exp' >> > >> > /usr/local/gromacs/lib/libgmx_d.a(nb_kernel221.c.o):nb_kernel221.c:(.text+0x5cc): >> > more undefined references to `exp' follow >> > /usr/local/gromacs/lib/libgmx_d.a(vmdio.c.o): In function >> > `read_next_vmd_frame': >> > vmdio.c:(.text+0x3fd): undefined reference to `sincos' >> > vmdio.c:(.text+0x457): undefined reference to `cos' >> > vmdio.c:(.text+0x494): undefined reference to `cos' >> > vmdio.c:(.text+0x4e7): undefined reference to `sqrt' >> > /usr/local/gromacs/lib/libgmx_d.a(gmx_random.c.o): In function >> > `print_gaussian_table': >> > gmx_random.c:(.text+0xb76): undefined reference to `exp' >> > gmx_random.c:(.text+0xc02): undefined reference to `exp' >> > gmx_random.c:(.text+0xc7a): undefined reference to `sqrt' >> > gmx_random.c:(.text+0xcb6): undefined reference to `sqrt' >> > gmx_random.c:(.text+0xcf2): undefined reference to `exp' >> > gmx_random.c:(.text+0xd7a): undefined reference to `exp' >> > gmx_random.c:(.text+0xdc2): undefined reference to `sqrt' >> > gmx_random.c:(.text+0xe1c): undefined reference to `exp' >> > gmx_random.c:(.text+0xebc): undefined reference to `exp' >> > gmx_random.c:(.text+0xf5c): undefined reference to `exp' >> > gmx_random.c:(.text+0xfe6): undefined reference to `sqrt' >> > gmx_random.c:(.text+0x1020): undefined reference to `sqrt' >> > gmx_random.c:(.text+0x1068): undefined reference to `sqrt' >> > gmx_random.c:(.text+0x10b0): undefined reference to `sqrt' >> > /usr/local/gromacs/lib/libgmx_d.a(gmx_random.c.o): In function >> > `gmx_rng_gaussian_real': >> > gmx_random.c:(.text+0x1876): undefined reference to `log' >> > gmx_random.c:(.text+0x18c8): undefined reference to `sqrt' >> > /usr/local/gromacs/lib/libgmx_d.a(vmddlopen.c.o): In function >> > `vmddlclose': >> > vmddlopen.c:(.text+0x1): undefined reference to `dlclose' >> > /usr/local/gromacs/lib/libgmx_d.a(vmddlopen.c.o): In function >> > `vmddlsym': >> > vmddlopen.c:(.text+0x11): undefined reference to `dlsym' >> > /usr/local/gromacs/lib/libgmx_d.a(vmddlopen.c.o): In function >> > `vmddlerror': >> > vmddlopen.c:(.text+0x21): undefined reference to `dlerror' >> > /usr/local/gromacs/lib/libgmx_d.a(vmddlopen.c.o): In function >> > `vmddlopen': >> > vmddlopen.c:(.text+0x36): undefined reference to `dlopen' >> > collect2: ld returned 1 exit status >> > make[1]: *** [cmTryCompileExec] Error 1 >> > make[1]: Leaving directory >> > `/home/patrick/votca/src/csg/CMakeFiles/CMakeTmp' >> > make: *** [cmTryCompileExec/fast] Error 2 >> > >> > >> > >> > >> > >> > On Tue, Oct 11, 2011 at 5:28 PM, Patrick Kiley <[email protected]> >> > wrote: >> >> >> >> I didn't specify anything by hand in the case above. >> >> >> >> Since I am using double precision gmx, should I specify -DGMX_D_LIBRARY >> >> rather than _DGMX_LIBRARY? >> >> >> >> patrick >> >> >> >> On Tue, Oct 11, 2011 at 5:17 PM, Christoph Junghans >> >> <[email protected]> >> >> wrote: >> >>> >> >>> Am 11. Oktober 2011 18:08 schrieb Patrick Kiley <[email protected]>: >> >>> > Here is the contents of the entire file: >> >>> .... >> >>> > >> >>> > Determining if the function GromacsVersion exists in the >> >>> > /usr/local/gromacs/lib failed with the following output: >> >>> That looks strange to me, did you specify GMX_LIBRARY by hand? >> >>> >> >>> For very odd systems you can specify all libs by hand, for examples >> >>> see >> >>> the build.sh line in >> >>> <https://code.google.com/p/votca/wiki/compiling_AIX> >> >>> >> >>> Christoph >> >>> >> >>> >> >>> > Change Dir: /home/patrick/votca/src/csg/CMakeFiles/CMakeTmp >> >>> > >> >>> > Run Build Command:/usr/bin/make "cmTryCompileExec/fast" >> >>> > /usr/bin/make -f CMakeFiles/cmTryCompileExec.dir/build.make >> >>> > CMakeFiles/cmTryCompileExec.dir/build >> >>> > make[1]: Entering directory >> >>> > `/home/patrick/votca/src/csg/CMakeFiles/CMakeTmp' >> >>> > /usr/local/bin/cmake -E cmake_progress_report >> >>> > /home/patrick/votca/src/csg/CMakeFiles/CMakeTmp/CMakeFiles 1 >> >>> > Building C object >> >>> > CMakeFiles/cmTryCompileExec.dir/CheckFunctionExists.c.o >> >>> > /usr/bin/gcc -DCHECK_FUNCTION_EXISTS=GromacsVersion -o >> >>> > CMakeFiles/cmTryCompileExec.dir/CheckFunctionExists.c.o -c >> >>> > /usr/local/share/cmake-2.8/Modules/CheckFunctionExists.c >> >>> > Linking C executable cmTryCompileExec >> >>> > /usr/local/bin/cmake -E cmake_link_script >> >>> > CMakeFiles/cmTryCompileExec.dir/link.txt --verbose=1 >> >>> > /usr/bin/gcc -DCHECK_FUNCTION_EXISTS=GromacsVersion >> >>> > CMakeFiles/cmTryCompileExec.dir/CheckFunctionExists.c.o -o >> >>> > cmTryCompileExec >> >>> > -rdynamic >> >>> > CMakeFiles/cmTryCompileExec.dir/CheckFunctionExists.c.o: In function >> >>> > `main': >> >>> > CheckFunctionExists.c:(.text+0x15): undefined reference to >> >>> > `GromacsVersion' >> >>> > collect2: ld returned 1 exit status >> >>> > make[1]: Leaving directory >> >>> > `/home/patrick/votca/src/csg/CMakeFiles/CMakeTmp' >> >>> > make[1]: *** [cmTryCompileExec] Error 1 >> >>> > make: *** [cmTryCompileExec/fast] Error 2 >> >>> > >> >>> > >> >>> > >> >>> > On Tue, Oct 11, 2011 at 5:02 PM, Christoph Junghans >> >>> > <[email protected]> >> >>> > wrote: >> >>> >> >> >>> >> Am 11. Oktober 2011 17:40 schrieb Patrick Kiley >> >>> >> <[email protected]>: >> >>> >> > Sorry! I should have realized that was what you were asking >> >>> >> > $ pkg-config --libs libgmx_d produces: >> >>> >> > -L/usr/local/gromacs/lib -lgmx_d >> >>> >> That looks ok to me, but it doesn't fit with >> >>> >> > -- package 'libgmx_d' not found >> >>> >> From your email above. >> >>> >> >> >>> >> What kind of error does csg/CMakeFiles/CMakeError.log report at the >> >>> >> end? >> >>> >> >> >>> >> Christoph >> >>> >> >> >>> >> > >> >>> >> > Patrick >> >>> >> > >> >>> >> > >> >>> >> > On Tue, Oct 11, 2011 at 4:24 PM, Christoph Junghans >> >>> >> > <[email protected]> >> >>> >> > wrote: >> >>> >> >> >> >>> >> >> Am 11. Oktober 2011 17:05 schrieb Patrick Kiley >> >>> >> >> <[email protected]>: >> >>> >> >> > I have definitely sourced gromacs. So many times . . . >> >>> >> >> > >> >>> >> >> > Here is the output of "ls /usr/local/gromacs/lib/pkgconfig/": >> >>> >> >> > libgmxana_d.pc libgmx_d.pc libgmxpreprocess_d.pc libmd_d.pc >> >>> >> >> Ah ok, so what is the output of >> >>> >> >> $ pkg-config --libs libgmx_d >> >>> >> >> then? >> >>> >> >> >> >>> >> >> > >> >>> >> >> > >> >>> >> >> > >> >>> >> >> > >> >>> >> >> > >> >>> >> >> > On Tue, Oct 11, 2011 at 3:57 PM, Christoph Junghans >> >>> >> >> > <[email protected]> >> >>> >> >> > wrote: >> >>> >> >> >> >> >>> >> >> >> Am 11. Oktober 2011 16:50 schrieb Patrick Kiley >> >>> >> >> >> <[email protected]>: >> >>> >> >> >> > Hi Christoph, >> >>> >> >> >> > >> >>> >> >> >> > Here is the output of $ pkg-config --libs libgmx: >> >>> >> >> >> > Package libgmx was not found in the pkg-config search path. >> >>> >> >> >> > Perhaps you should add the directory containing `libgmx.pc' >> >>> >> >> >> > to the PKG_CONFIG_PATH environment variable >> >>> >> >> >> > No package 'libgmx' found >> >>> >> >> >> what does contain /usr/local/gromacs/lib/pkgconfig then? >> >>> >> >> >> Have you sourced GMXRC? >> >>> >> >> >> >> >>> >> >> >> Cheers, >> >>> >> >> >> >> >>> >> >> >> Christoph >> >>> >> >> >> >> >>> >> >> >> > >> >>> >> >> >> > >> >>> >> >> >> > >> >>> >> >> >> > On Tue, Oct 11, 2011 at 3:45 PM, Christoph Junghans >> >>> >> >> >> > <[email protected]> >> >>> >> >> >> > wrote: >> >>> >> >> >> >> >> >>> >> >> >> >> Am 11. Oktober 2011 16:24 schrieb Patrick Kiley >> >>> >> >> >> >> <[email protected]>: >> >>> >> >> >> >> > Hi Christoph, >> >>> >> >> >> >> > >> >>> >> >> >> >> > I tried your suggestion, but it doesn't work. I get this >> >>> >> >> >> >> > error: >> >>> >> >> >> >> > "relocation >> >>> >> >> >> >> > R_X86_64_32 against `.rodata' can not be used when >> >>> >> >> >> >> > making a >> >>> >> >> >> >> > shared >> >>> >> >> >> >> > object; >> >>> >> >> >> >> > recompile with -fPIC". >> >>> >> >> >> >> Hmm, that could be the fPIC bug of gcc, but this looks >> >>> >> >> >> >> more >> >>> >> >> >> >> like >> >>> >> >> >> >> a >> >>> >> >> >> >> mixture of 64 and 32 bit libraries. >> >>> >> >> >> >> Are all dependence libraries (gsl, fftw, libgmx ...) are >> >>> >> >> >> >> compiled >> >>> >> >> >> >> in >> >>> >> >> >> >> 64bit? e.g. >> >>> >> >> >> >> $ file ~/votca/lib/libgmx.so.6 >> >>> >> >> >> >> libgmx.so.6: ELF 64-bit LSB shared object, x86-64.... >> >>> >> >> >> >> >> >>> >> >> >> >> > >> >>> >> >> >> >> > I tried a fresh install of the normal gromacs compiled >> >>> >> >> >> >> > as >> >>> >> >> >> >> > static, >> >>> >> >> >> >> > and >> >>> >> >> >> >> > tried >> >>> >> >> >> >> Well, I hope you have a good reason to go through the pain >> >>> >> >> >> >> of >> >>> >> >> >> >> compiling statically! >> >>> >> >> >> >> Even the gromacs people now compile shared by default. >> >>> >> >> >> >> >> >>> >> >> >> >> In case you still want to do it, here is a thread with >> >>> >> >> >> >> hints: >> >>> >> >> >> >> >> >>> >> >> >> >> >> >>> >> >> >> >> >> >>> >> >> >> >> >> >>> >> >> >> >> >> >>> >> >> >> >> >> >>> >> >> >> >> <https://groups.google.com/group/votca/browse_thread/thread/c4a847aabfa5f643/054959940df46f> >> >>> >> >> >> >> >> >>> >> >> >> >> >> >>> >> >> >> >> > recompiling votca against it and finally I get this >> >>> >> >> >> >> > error: >> >>> >> >> >> >> > -- package 'libgmx_d' not found >> >>> >> >> >> >> > -- Could NOT find GMX_D (missing: GMX_D_LIBRARY >> >>> >> >> >> >> > GMX_D_INCLUDE_DIR) >> >>> >> >> >> >> > CMake Warning at src/libcsg/CMakeLists.txt:41 (message): >> >>> >> >> >> >> > gromacs-4.5 double precision not found failback to >> >>> >> >> >> >> > single >> >>> >> >> >> >> > precision >> >>> >> >> >> >> > >> >>> >> >> >> >> > >> >>> >> >> >> >> > -- checking for module 'libgmx' >> >>> >> >> >> >> > -- package 'libgmx' not found >> >>> >> >> >> >> > -- Could NOT find GMX (missing: GMX_LIBRARY >> >>> >> >> >> >> > GMX_INCLUDE_DIR) >> >>> >> >> >> >> > CMake Error at src/libcsg/CMakeLists.txt:44 (message): >> >>> >> >> >> >> > gromacs-4.5 (single or double) not found, make sure >> >>> >> >> >> >> > you >> >>> >> >> >> >> > have >> >>> >> >> >> >> > installed >> >>> >> >> >> >> > the >> >>> >> >> >> >> > gromacs-4.5 and it's dev package. If the gromacs >> >>> >> >> >> >> > module >> >>> >> >> >> >> > was >> >>> >> >> >> >> > not >> >>> >> >> >> >> > found >> >>> >> >> >> >> > above, make sure you have sourced GMXRC or set >> >>> >> >> >> >> > PKG_CONFIG_PATH >> >>> >> >> >> >> > yourself. >> >>> >> >> >> >> > gromacs support can be disable it with -DWITH_GMX=OFF. >> >>> >> >> >> >> > If >> >>> >> >> >> >> > you >> >>> >> >> >> >> > have >> >>> >> >> >> >> > gromacs-5.0 installed enable to build against it with >> >>> >> >> >> >> > -DWITH_GMX_DEVEL=ON >> >>> >> >> >> >> > >> >>> >> >> >> >> > >> >>> >> >> >> >> > -- Configuring incomplete, errors occurred! >> >>> >> >> >> >> > >> >>> >> >> >> >> > According to Valentina's link: >> >>> >> >> >> >> > echo $PKG_CONFIG_PATH produces: >> >>> >> >> >> >> > /usr/local/gromacs/lib/pkgconfig >> >>> >> >> >> >> > >> >>> >> >> >> >> > which I believe is correct. >> >>> >> >> >> >> Can you post the output of >> >>> >> >> >> >> $ pkg-config --libs libgmx >> >>> >> >> >> >> >> >>> >> >> >> >> Cheers, >> >>> >> >> >> >> >> >>> >> >> >> >> Christoph >> >>> >> >> >> >> >> >>> >> >> >> >> > >> >>> >> >> >> >> > Any other ideas? >> >>> >> >> >> >> >> >>> >> >> >> >> > >> >>> >> >> >> >> > Kind regards, >> >>> >> >> >> >> > Patrick >> >>> >> >> >> >> > On Tue, Oct 11, 2011 at 1:23 PM, Patrick Kiley >> >>> >> >> >> >> > <[email protected]> >> >>> >> >> >> >> > wrote: >> >>> >> >> >> >> >> >> >>> >> >> >> >> >> Hi Valentina, >> >>> >> >> >> >> >> >> >>> >> >> >> >> >> Thanks for the link, but unfortunately, I get zero >> >>> >> >> >> >> >> errors >> >>> >> >> >> >> >> during >> >>> >> >> >> >> >> compilation, so I think this case is a little different >> >>> >> >> >> >> >> from >> >>> >> >> >> >> >> yours, >> >>> >> >> >> >> >> but >> >>> >> >> >> >> >> someone please correct me if I am wrong. >> >>> >> >> >> >> >> >> >>> >> >> >> >> >> Patrick >> >>> >> >> >> >> >> >> >>> >> >> >> >> >> On Tue, Oct 11, 2011 at 1:12 PM, Valentina >> >>> >> >> >> >> >> <[email protected]> wrote: >> >>> >> >> >> >> >>> >> >>> >> >> >> >> >>> Oh, sorry, I read topol.tpr at the beginning. >> >>> >> >> >> >> >>> >> >>> >> >> >> >> >>> I had a similar problem before. This may be useful? >> >>> >> >> >> >> >>> >> >>> >> >> >> >> >>> >> >>> >> >> >> >> >>> >> >>> >> >> >> >> >>> >> >>> >> >> >> >> >>> >> >>> >> >> >> >> >>> >> >>> >> >> >> >> >>> >> >>> >> >> >> >> >>> http://groups.google.com/group/votca/browse_thread/thread/d24203fb92647bb9 >> >>> >> >> >> >> >>> >> >>> >> >> >> >> >>> Valentina >> >>> >> >> >> >> >>> >> >>> >> >> >> >> >>> >> >>> >> >> >> >> >>> On Oct 11, 12:52 pm, Patrick Kiley <[email protected]> >> >>> >> >> >> >> >>> wrote: >> >>> >> >> >> >> >>> > I seem to remember that there used to be a >> >>> >> >> >> >> >>> > --conf-opts >> >>> >> >> >> >> >>> > option >> >>> >> >> >> >> >>> > for >> >>> >> >> >> >> >>> > build.sh >> >>> >> >> >> >> >>> > that enabled me to build static libs. Does this >> >>> >> >> >> >> >>> > still >> >>> >> >> >> >> >>> > exist? >> >>> >> >> >> >> >>> > I >> >>> >> >> >> >> >>> > just >> >>> >> >> >> >> >>> > tried >> >>> >> >> >> >> >>> > using it, but it doesn't seem to be recognized. >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > Patrick >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > On Tue, Oct 11, 2011 at 12:48 PM, Patrick Kiley >> >>> >> >> >> >> >>> > <[email protected]> >> >>> >> >> >> >> >>> > wrote: >> >>> >> >> >> >> >>> > > Dear all, >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > > Sorry, that was a mistake on my part. I am >> >>> >> >> >> >> >>> > > actually >> >>> >> >> >> >> >>> > > using >> >>> >> >> >> >> >>> > > the >> >>> >> >> >> >> >>> > > .tpr >> >>> >> >> >> >> >>> > > files. >> >>> >> >> >> >> >>> > > The command was: >> >>> >> >> >> >> >>> > > csg_boltzmann --top topol.tpr --cg >> >>> >> >> >> >> >>> > > map5-gly-pro-pro.xml >> >>> >> >> >> >> >>> > > --excl >> >>> >> >> >> >> >>> > > --trj >> >>> >> >> >> >> >>> > > traj.trr >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > > sorry for the confusion. >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > > Patrick >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > > On Tue, Oct 11, 2011 at 12:40 PM, Sebastian >> >>> >> >> >> >> >>> > > Fritsch < >> >>> >> >> >> >> >>> > > [email protected]> wrote: >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > >> Hello Patrick, >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > >> you need to use the topol.tpr which is the binary >> >>> >> >> >> >> >>> > >> form >> >>> >> >> >> >> >>> > >> of >> >>> >> >> >> >> >>> > >> the >> >>> >> >> >> >> >>> > >> topol.top. >> >>> >> >> >> >> >>> > >> To get the .tpr you have to run the gromacs >> >>> >> >> >> >> >>> > >> preprocessor >> >>> >> >> >> >> >>> > >> (grompp). >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > >> -Sebastian >> >>> >> >> >> >> >>> > >> > Dear all, >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > >> > I have recently recompiled GROMACS on my >> >>> >> >> >> >> >>> > >> > machine, >> >>> >> >> >> >> >>> > >> > and >> >>> >> >> >> >> >>> > >> > therefore >> >>> >> >> >> >> >>> > >> > have >> >>> >> >> >> >> >>> > >> > needed to recompile VOTCA. >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > >> > Here is how I did it: >> >>> >> >> >> >> >>> > >> > 1) source gromacs >> >>> >> >> >> >> >>> > >> > 2) sudo ./build.sh -R -dcu --release 1.2.1 >> >>> >> >> >> >> >>> > >> > --prefix=/home/votca/ >> >>> >> >> >> >> >>> > >> > tools csg >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > >> > This finishes with no errors, so I thought >> >>> >> >> >> >> >>> > >> > everything >> >>> >> >> >> >> >>> > >> > should >> >>> >> >> >> >> >>> > >> > be >> >>> >> >> >> >> >>> > >> > OK. >> >>> >> >> >> >> >>> > >> > However, when I run this command: >> >>> >> >> >> >> >>> > >> > csg_boltzmann --top topol.top --cg map.xml >> >>> >> >> >> >> >>> > >> > --excl >> >>> >> >> >> >> >>> > >> > --trj >> >>> >> >> >> >> >>> > >> > traj.trr >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > >> > I get this error: >> >>> >> >> >> >> >>> > >> > an error occurred: >> >>> >> >> >> >> >>> > >> > input format not supported: topol.top >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > >> > To me this means I have somehow compiled >> >>> >> >> >> >> >>> > >> > without >> >>> >> >> >> >> >>> > >> > GMX >> >>> >> >> >> >> >>> > >> > support, >> >>> >> >> >> >> >>> > >> > but >> >>> >> >> >> >> >>> > >> > how >> >>> >> >> >> >> >>> > >> > could this be and how can I fix it? One other >> >>> >> >> >> >> >>> > >> > thing, >> >>> >> >> >> >> >>> > >> > I >> >>> >> >> >> >> >>> > >> > have >> >>> >> >> >> >> >>> > >> > compiled >> >>> >> >> >> >> >>> > >> > gromacs with static libs, so maybe I need to >> >>> >> >> >> >> >>> > >> > tell >> >>> >> >> >> >> >>> > >> > the >> >>> >> >> >> >> >>> > >> > build >> >>> >> >> >> >> >>> > >> > script >> >>> >> >> >> >> >>> > >> > this explicitly? >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > >> > Thanks for any help you can give, >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > >> > Patrick Kiley >> >>> >> >> >> >> >>> > >> >>> >> >> >> >> >>> > >> -- >> >>> >> >> >> >> >>> > >> You received this message because you are >> >>> >> >> >> >> >>> > >> subscribed >> >>> >> >> >> >> >>> > >> to >> >>> >> >> >> >> >>> > >> the >> >>> >> >> >> >> >>> > >> Google >> >>> >> >> >> >> >>> > >> Groups >> >>> >> >> >> >> >>> > >> "votca" group. >> >>> >> >> >> >> >>> > >> To post to this group, send email to >> >>> >> >> >> >> >>> > >> [email protected]. >> >>> >> >> >> >> >>> > >> To unsubscribe from this group, send email to >> >>> >> >> >> >> >>> > >> [email protected]. >> >>> >> >> >> >> >>> > >> For more options, visit this group at >> >>> >> >> >> >> >>> > >>http://groups.google.com/group/votca?hl=en. >> >>> >> >> >> >> >>> >> >>> >> >> >> >> >>> -- >> >>> >> >> >> >> >>> You received this message because you are subscribed >> >>> >> >> >> >> >>> to >> >>> >> >> >> >> >>> the >> >>> >> >> >> >> >>> Google >> >>> >> >> >> >> >>> Groups >> >>> >> >> >> >> >>> "votca" group. >> >>> >> >> >> >> >>> To post to this group, send email to >> >>> >> >> >> >> >>> [email protected]. >> >>> >> >> >> >> >>> To unsubscribe from this group, send email to >> >>> >> >> >> >> >>> [email protected]. >> >>> >> >> >> >> >>> For more options, visit this group at >> >>> >> >> >> >> >>> http://groups.google.com/group/votca?hl=en. >> >>> >> >> >> >> >>> >> >>> >> >> >> >> >> >> >>> >> >> >> >> > >> >>> >> >> >> >> > -- >> >>> >> >> >> >> > You received this message because you are subscribed to >> >>> >> >> >> >> > the >> >>> >> >> >> >> > Google >> >>> >> >> >> >> > Groups >> >>> >> >> >> >> > "votca" group. >> >>> >> >> >> >> > To post to this group, send email to >> >>> >> >> >> >> > [email protected]. >> >>> >> >> >> >> > To unsubscribe from this group, send email to >> >>> >> >> >> >> > [email protected]. >> >>> >> >> >> >> > For more options, visit this group at >> >>> >> >> >> >> > http://groups.google.com/group/votca?hl=en. >> >>> >> >> >> >> > >> >>> >> >> >> >> >> >>> >> >> >> >> >> >>> >> >> >> >> >> >>> >> >> >> >> -- >> >>> >> >> >> >> Christoph Junghans >> >>> >> >> >> >> Votca Core Developer >> >>> >> >> >> >> >> >>> >> >> >> >> Web: http://www.votca.org >> >>> >> >> >> >> >> >>> >> >> >> >> -- >> >>> >> >> >> >> You received this message because you are subscribed to >> >>> >> >> >> >> the >> >>> >> >> >> >> Google >> >>> >> >> >> >> Groups >> >>> >> >> >> >> "votca" group. >> >>> >> >> >> >> To post to this group, send email to >> >>> >> >> >> >> [email protected]. >> >>> >> >> >> >> To unsubscribe from this group, send email to >> >>> >> >> >> >> [email protected]. >> >>> >> >> >> >> For more options, visit this group at >> >>> >> >> >> >> http://groups.google.com/group/votca?hl=en. >> >>> >> >> >> >> >> >>> >> >> >> > >> >>> >> >> >> > -- >> >>> >> >> >> > You received this message because you are subscribed to the >> >>> >> >> >> > Google >> >>> >> >> >> > Groups >> >>> >> >> >> > "votca" group. >> >>> >> >> >> > To post to this group, send email to >> >>> >> >> >> > [email protected]. >> >>> >> >> >> > To unsubscribe from this group, send email to >> >>> >> >> >> > [email protected]. >> >>> >> >> >> > For more options, visit this group at >> >>> >> >> >> > http://groups.google.com/group/votca?hl=en. >> >>> >> >> >> > >> >>> >> >> >> >> >>> >> >> >> >> >>> >> >> >> >> >>> >> >> >> -- >> >>> >> >> >> Christoph Junghans >> >>> >> >> >> Votca Core Developer >> >>> >> >> >> >> >>> >> >> >> Web: http://www.votca.org >> >>> >> >> >> >> >>> >> >> >> -- >> >>> >> >> >> You received this message because you are subscribed to the >> >>> >> >> >> Google >> >>> >> >> >> Groups >> >>> >> >> >> "votca" group. >> >>> >> >> >> To post to this group, send email to [email protected]. >> >>> >> >> >> To unsubscribe from this group, send email to >> >>> >> >> >> [email protected]. >> >>> >> >> >> For more options, visit this group at >> >>> >> >> >> http://groups.google.com/group/votca?hl=en. >> >>> >> >> >> >> >>> >> >> > >> >>> >> >> > -- >> >>> >> >> > You received this message because you are subscribed to the >> >>> >> >> > Google >> >>> >> >> > Groups >> >>> >> >> > "votca" group. >> >>> >> >> > To post to this group, send email to [email protected]. >> >>> >> >> > To unsubscribe from this group, send email to >> >>> >> >> > [email protected]. >> >>> >> >> > For more options, visit this group at >> >>> >> >> > http://groups.google.com/group/votca?hl=en. >> >>> >> >> > >> >>> >> >> >> >>> >> >> >> >>> >> >> >> >>> >> >> -- >> >>> >> >> Christoph Junghans >> >>> >> >> Votca Core Developer >> >>> >> >> >> >>> >> >> Web: http://www.votca.org >> >>> >> >> >> >>> >> >> -- >> >>> >> >> You received this message because you are subscribed to the >> >>> >> >> Google >> >>> >> >> Groups >> >>> >> >> "votca" group. >> >>> >> >> To post to this group, send email to [email protected]. >> >>> >> >> To unsubscribe from this group, send email to >> >>> >> >> [email protected]. >> >>> >> >> For more options, visit this group at >> >>> >> >> http://groups.google.com/group/votca?hl=en. >> >>> >> >> >> >>> >> > >> >>> >> > -- >> >>> >> > You received this message because you are subscribed to the >> >>> >> > Google >> >>> >> > Groups >> >>> >> > "votca" group. >> >>> >> > To post to this group, send email to [email protected]. >> >>> >> > To unsubscribe from this group, send email to >> >>> >> > [email protected]. >> >>> >> > For more options, visit this group at >> >>> >> > http://groups.google.com/group/votca?hl=en. >> >>> >> > >> >>> >> >> >>> >> >> >>> >> >> >>> >> -- >> >>> >> Christoph Junghans >> >>> >> Votca Core Developer >> >>> >> >> >>> >> Web: http://www.votca.org >> >>> >> >> >>> >> -- >> >>> >> You received this message because you are subscribed to the Google >> >>> >> Groups >> >>> >> "votca" group. >> >>> >> To post to this group, send email to [email protected]. >> >>> >> To unsubscribe from this group, send email to >> >>> >> [email protected]. >> >>> >> For more options, visit this group at >> >>> >> http://groups.google.com/group/votca?hl=en. >> >>> >> >> >>> > >> >>> > -- >> >>> > You received this message because you are subscribed to the Google >> >>> > Groups >> >>> > "votca" group. >> >>> > To post to this group, send email to [email protected]. >> >>> > To unsubscribe from this group, send email to >> >>> > [email protected]. >> >>> > For more options, visit this group at >> >>> > http://groups.google.com/group/votca?hl=en. >> >>> > >> >>> >> >>> >> >>> >> >>> -- >> >>> Christoph Junghans >> >>> Votca Core Developer >> >>> >> >>> Web: http://www.votca.org >> >>> >> >>> -- >> >>> You received this message because you are subscribed to the Google >> >>> Groups >> >>> "votca" group. >> >>> To post to this group, send email to [email protected]. >> >>> To unsubscribe from this group, send email to >> >>> [email protected]. >> >>> For more options, visit this group at >> >>> http://groups.google.com/group/votca?hl=en. >> >>> >> >> >> > >> > -- >> > You received this message because you are subscribed to the Google >> > Groups >> > "votca" group. >> > To post to this group, send email to [email protected]. >> > To unsubscribe from this group, send email to >> > [email protected]. >> > For more options, visit this group at >> > http://groups.google.com/group/votca?hl=en. >> > >> >> >> >> -- >> Christoph Junghans >> Votca Core Developer >> >> Web: http://www.votca.org >> >> -- >> You received this message because you are subscribed to the Google Groups >> "votca" group. >> To post to this group, send email to [email protected]. >> To unsubscribe from this group, send email to >> [email protected]. >> For more options, visit this group at >> http://groups.google.com/group/votca?hl=en. >> > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To post to this group, send email to [email protected]. > To unsubscribe from this group, send email to > [email protected]. > For more options, visit this group at > http://groups.google.com/group/votca?hl=en. > -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
