Hi, The warnings are not a problem - gmx view does not get as much love as the rest of the project!
Mark On Jul 2, 2014 11:23 AM, "Luís Pereira" <luisp2...@gmail.com> wrote: > Hi, > > Thank you for this new version! > > When compiling we've got these warnings: > > > > attribute warn_unused_result [-Wunused-result] > > fscanf(in, "%6s", buf); > > ^ > > /home/arh/Downloads/gromacs-5.0/src/programs/view/fgrid.cpp:391:28: > > warning: ignoring return value of ‘int fscanf(FILE*, const char*, ...)’, > > declared with attribute warn_unused_result [-Wunused-result] > > fscanf(in, "%15s", buf); > > ^ > > /home/arh/Downloads/gromacs-5.0/src/programs/view/fgrid.cpp:412:36: > > warning: ignoring return value of ‘int fscanf(FILE*, const char*, ...)’, > > declared with attribute warn_unused_result [-Wunused-result] > > fscanf(in, "%15s", buf); > > ^ > > /home/arh/Downloads/gromacs-5.0/src/programs/view/fgrid.cpp:416:40: > > warning: ignoring return value of ‘int fscanf(FILE*, const char*, ...)’, > > declared with attribute warn_unused_result [-Wunused-result] > > fscanf(in, "%15s", buf); > > ^ > > /home/arh/Downloads/gromacs-5.0/src/programs/view/fgrid.cpp:435:36: > > warning: ignoring return value of ‘int fscanf(FILE*, const char*, ...)’, > > declared with attribute warn_unused_result [-Wunused-result] > > fscanf(in, "%15s", buf); > > ^ > > /home/arh/Downloads/gromacs-5.0/src/programs/view/fgrid.cpp:439:32: > > warning: ignoring return value of ‘int fscanf(FILE*, const char*, ...)’, > > declared with attribute warn_unused_result [-Wunused-result] > > fscanf(in, "%15s", buf); > > ^ > > /home/arh/Downloads/gromacs-5.0/src/programs/view/fgrid.cpp: In function > > ‘void ReadAccOpen(const char*, FILE*)’: > > /home/arh/Downloads/gromacs-5.0/src/programs/view/fgrid.cpp:106:27: > > warning: ignoring return value of ‘int fscanf(FILE*, const char*, ...)’, > > declared with attribute warn_unused_result [-Wunused-result] > > fscanf(in, "%4s", buf); > > ^ > > /home/arh/Downloads/gromacs-5.0/src/programs/view/fgrid.cpp: In function > > ‘void ReadAccClose(const char*, FILE*)’: > > /home/arh/Downloads/gromacs-5.0/src/programs/view/fgrid.cpp:117:27: > > warning: ignoring return value of ‘int fscanf(FILE*, const char*, ...)’, > > declared with attribute warn_unused_result [-Wunused-result] > > fscanf(in, "%4s", buf); > > ^ > > > OS is ubuntu 14.04 64 bit, virtualbox machine: > > GROMACS: gmx, VERSION 5.0 > > Executable: /usr/local/gromacs/bin/gmx > > Library dir: /usr/local/gromacs/share/gromacs/top > > Command line: > > gmx -version > > Gromacs version: VERSION 5.0 > > Precision: single > > Memory model: 64 bit > > MPI library: thread_mpi > > OpenMP support: enabled > > GPU support: disabled > > invsqrt routine: gmx_software_invsqrt(x) > > SIMD instructions: SSE2 > > FFT library: fftw-3.3.3-sse2-avx > > RDTSCP usage: enabled > > C++11 compilation: enabled > > TNG support: enabled > > Tracing support: disabled > > Built on: Qua Jul 2 09:54:48 WEST 2014 > > Built by: arh@arh-VirtualBox [CMAKE] > > Build OS/arch: Linux 3.13.0-24-generic x86_64 > > Build CPU vendor: GenuineIntel > > Build CPU brand: Intel(R) Xeon(R) CPU E5530 @ 2.40GHz > > Build CPU family: 6 Model: 26 Stepping: 5 > > Build CPU features: apic clfsh cmov cx8 lahf_lm mmx msr pse rdtscp sse2 > > sse3 ssse3 > > C compiler: /usr/bin/cc GNU 4.8.2 > > C compiler flags: -msse2 -Wno-maybe-uninitialized -Wextra > > -Wno-missing-field-initializers -Wno-sign-compare -Wpointer-arith -Wall > > -Wno-unused -Wunused-value -Wunused-parameter -fomit-frame-pointer > > -funroll-all-loops -fexcess-precision=fast -Wno-array-bounds -O3 > -DNDEBUG > > C++ compiler: /usr/bin/c++ GNU 4.8.2 > > C++ compiler flags: -msse2 -std=c++0x -Wextra > > -Wno-missing-field-initializers -Wpointer-arith -Wall > -Wno-unused-function > > -fomit-frame-pointer -funroll-all-loops -fexcess-precision=fast > > -Wno-array-bounds -O3 -DNDEBUG > > Boost version: 1.55.0 (internal) > > > > > On 29 June 2014 21:53, Mark Abraham <mark.j.abra...@gmail.com> wrote: > > > Hi GROMACS users, > > > > The official release of GROMACS 5.0 is available! > > > > What new things can you expect? > > > > * GROMACS now uses a combination of *C++98* and C99, so you will need a > > working C++ compiler that is intended to work with your C compiler > > > > > > * Building GROMACS now requires *CMake version 2.8.8*, which will mean > > some of you will need to update your version in order to build GROMACS. > > > > * The native GPU port available in GROMACS 4.6 supports a wider range of > > simulation types, and now requires CUDA 4.0 > > > > * The *Verlet cut-off scheme is now the default* in GROMACS. One of our > > design principles is that GROMACS will do correct simulations by default, > > and the use of this scheme makes that easy and fast. The group cut-off > > scheme will be removed in a future version, so start planning for that! > > > > * You can now treat *Lennard-Jones interactions with PME*, which is > > expected to provide a much better treatment of spatially heterogeneous > > long-ranged dispersion interactions at cost comparable to that of a > cutoff. > > LJPME is supported for both cut-off schemes, and almost all kinds of > > simullations > > > > * GROMACS deploys the Random123 stateless random-number generator > > > > * GROMACS now uses the stochastic dynamics (sd1) integrator of Goga & > > Berendsen > > > > * GROMACS tools are now bundled together into *just two binaries* - mdrun > > and gmx. The latter contains most of the tools familiar to you, perhaps > > with new names, and a couple of new ones. For the time being, the install > > procedure will also create symbolic links so that your old scripts will > > keep working for a time, but these will go away at some future point! > > > > * There is support for the new TNG compressed trajectory format > > > > * GROMACS contains a feature for "computational electrophysiology" > > simulations, to simulate a steady-state ion concentration difference > > between compartments of a double membrane > > > > * GROMACS supports some special interactions for coarse-grained > > interactions with Martini force fields > > > > * GROMACS support for Interactive Molecular Dynamics (IMD) > > > > > > * A handful of the tools have been re-implemented using a *new C++ > > analysis framework*, which we hope will provide a better platform for > > maintaining and adding to their functionality in the future. > > > > > > * There is an enhanced testing suite, with *unit tests* for most new C++ > > code. > > > > * There is preliminary support for Intel Xeon Phi (only in native mode, > > and performance will only be slightly improved) > > > > * GROMACS has removed support for particle decomposition - the simulation > > types that required it are now limited to a single MPI rank (but perhaps > > multiple OpenMP threads) > > > > Please see the link to the release notes below for more details. All the > > content of GROMACS 4.6.6 (whose release is imminent) is present, apart > from > > features that have been removed. > > > > You can find the code, manual, release notes, installation instructions > > and test suite at the links below. > > > > ftp://ftp.gromacs.org/pub/gromacs/gromacs-5.0.tar.gz > > > > ftp://ftp.gromacs.org/pub/manual/manual-5.0.pdf > > > > > > > http://www.gromacs.org/About_Gromacs/Release_Notes/Versions_5.0.x#Release_notes_for_5.0 > > > > http://www.gromacs.org/Documentation/Installation_Instructions_for_5.0 > > > > http://gerrit.gromacs.org/download/regressiontests-5.0.tar.gz > > > > Happy simulating! > > > > Mark Abraham > > GROMACS development manager > > > > _______________________________________________ > > Announcements from the Gromacs team > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-announce > > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? 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