Hi all
After attempting to install GROMACS 2020 on new system, I get the error below.
The system details & other details are below the error.
cmake .. -DGMX_BUILD_OWN_FFTW=ON
-DREGRESSIONTEST_DOWNLOAD=ON
-DCMAKE_INSTALL_PREFIX=/home/b5018993/src/gromacs-2020
-DCMAKE_C_COMPILER=gcc -DCMAKE_CXX_COMPILER=gcc -DGMX_GPU=ON -Wno-dev
make
[ 84%] Building CXX object
src/gromacs/CMakeFiles/libgromacs.dir/mdrun/runner.cpp.o
In file included from
/home/b5018993/src/gromacs-2020/src/gromacs/mdrun/simulatorbuilder.h:48:0,
from
/home/b5018993/src/gromacs-2020/src/gromacs/mdrun/runner.cpp:161:
/home/b5018993/src/gromacs-2020/src/gromacs/mdrun/legacysimulator.h: In
instantiation of 'std::unique_ptr<gmx::ISimulator>
gmx::SimulatorBuilder::build(bool, Args&& ...) [with Args = {_IO_FILE*&,
t_commrec*&, gmx_multisim_t*&, gmx::MDLogger&, int, const t_filenm*,
gmx_output_env_t*&, gmx::MdrunOptions&, gmx::StartingBehavior&, gmx_vsite_t*,
gmx::Constraints*, gmx_enfrot*, gmx::BoxDeformation*, gmx::IMDOutputProvider*,
const gmx::MdModulesNotifier&, t_inputrec*&, gmx::ImdSession*, pull_t*&,
t_swap*&, gmx_mtop_t*, t_fcdata*&, t_state*, ObservablesHistory*,
gmx::MDAtoms*, t_nrnb*, gmx_wallcycle*&, t_forcerec*&, gmx_enerdata_t*,
gmx_ekindata_t*, gmx::MdrunScheduleWorkload*, ReplicaExchangeParameters&,
gmx_membed_t*&, gmx_walltime_accounting*&,
std::unique_ptr<gmx::StopHandlerBuilder,
std::default_delete<gmx::StopHandlerBuilder> >, const bool&}]':
/home/b5018993/src/gromacs-2020/src/gromacs/mdrun/runner.cpp:1612:77:
required from here
/home/b5018993/src/gromacs-2020/src/gromacs/mdrun/legacysimulator.h:94:23:
error: use of deleted function 'std::unique_ptr<_Tp, _Dp>::unique_ptr(const
std::unique_ptr<_Tp, _Dp>&) [with _Tp = gmx::StopHandlerBuilder; _Dp =
std::default_delete<gmx::StopHandlerBuilder>]'
using ISimulator::ISimulator;
^~~~~~~~~~
In file included from /cm/local/apps/gcc/6.1.0/include/c++/6.1.0/memory:81:0,
from
/home/b5018993/src/gromacs-2020/src/gromacs/mdrun/runner.h:48,
from
/home/b5018993/src/gromacs-2020/src/gromacs/mdrun/runner.cpp:46:
/cm/local/apps/gcc/6.1.0/include/c++/6.1.0/bits/unique_ptr.h:356:7: note:
declared here
unique_ptr(const unique_ptr&) = delete;
^~~~~~~~~~
In file included from
/home/b5018993/src/gromacs-2020/src/gromacs/mdrun/runner.cpp:161:0:
/home/b5018993/src/gromacs-2020/src/gromacs/mdrun/simulatorbuilder.h:123:45:
note: synthesized method 'gmx::LegacySimulator::LegacySimulator(FILE*,
t_commrec*, const gmx_multisim_t*, const gmx::MDLogger&, int, const t_filenm*,
const gmx_output_env_t*, const gmx::MdrunOptions&, gmx::StartingBehavior,
gmx_vsite_t*, gmx::Constraints*, gmx_enfrot*, gmx::BoxDeformation*,
gmx::IMDOutputProvider*, const gmx::MdModulesNotifier&, t_inputrec*,
gmx::ImdSession*, pull_t*, t_swap*, gmx_mtop_t*, t_fcdata*, t_state*,
ObservablesHistory*, gmx::MDAtoms*, t_nrnb*, gmx_wallcycle*, t_forcerec*,
gmx_enerdata_t*, gmx_ekindata_t*, gmx::MdrunScheduleWorkload*, const
ReplicaExchangeParameters&, gmx_membed_t*, gmx_walltime_accounting*,
std::unique_ptr<gmx::StopHandlerBuilder>, bool)' first required here
return std::unique_ptr<LegacySimulator>(new
LegacySimulator(std::forward<Args>(args)...));
^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: *** [src/gromacs/CMakeFiles/libgromacs.dir/mdrun/runner.cpp.o] Error 1
make[1]: *** [src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2
make: *** [all] Error 2
System details
Architecture: x86_64
CPU op modes: 32-bit, 64-bit
OS details
CentOS Linux release 7.3.1611 (Core)
Linux 3.10.0-327.22.2.el7.x86_64
Compiler/ nvcc details
openmpi/intel-ofed/gcc/64/1.10.4
Cuda 90 toolkit/9.0.176
gcc version 6.1.0
Thanks in advance for your help
Simon Turega
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