I'm attempting to install in RHEL6. I've followed the directions, but perhaps I've missed something.
I'm using:
icc v16.0.3 20160415
impi 5.1.3
mkl 11.3.3
tbb 4.4.4
$: AMBERHOME=/rpmbuild/BUILD/amber18/amber18 ./configure -intelmpi intel
$: . amber.sh
$: AMBERHOME=/rpmbuild/BUILD/amber18/amber18 make
This is the error I get after "make":
====================================================================
CXX Ewald_ParticleMesh.cpp
helpme_standalone.h(2133): error: more than one instance of overloaded function "std::to_string" matches the argument list:
function "std::to_string(long long)"
function "std::to_string(unsigned long long)"
function "std::to_string(long double)"
argument types are: (int)
msg += std::to_string(derivativeLevel + 2);
^
detected during:
instantiation of "void helpme::BSpline<Real>::update(short, Real, short, short) [with Real=double]" at line 2142
instantiation of "helpme::BSpline<Real>::BSpline(short, Real, short, short) [with Real=double]" at line 2279
instantiation of "helpme::SplineCacheEntry<Real>::SplineCacheEntry(int, int) [with Real=double]" at line 111 of "/usr/include/c++/4.4.7/ext/new_allocator.h"
instantiation of "void __gnu_cxx::new_allocator<_Tp>::construct(__gnu_cxx::new_allocator<_Tp>::pointer, _Args &&...) [with _Tp=helpme::SplineCacheEntry<double
>, _Args=<int &, int &>]" at line 96 of "/usr/include/c++/4.4.7/bits/vector.tcc"
instantiation of "void std::vector<_Tp, _Alloc>::emplace_back(_Args &&...) [with _Tp=helpme::SplineCacheEntry<double>, _Alloc=std::allocator<helpme::SplineCac
heEntry<double>>, _Args=<int &, int &>]" at line 2532
instantiation of "void helpme::PMEInstance<Real>::filterAtomsAndBuildSplineCache(int, const helpme::PMEInstance<Real>::RealMat &) [with Real=double]" at line
4205
instantiation of "Real helpme::PMEInstance<Real>::computeERec(int, const helpme::PMEInstance<Real>::RealMat &, const helpme::PMEInstance<Real>::RealMat &) [wi
th Real=double]" at line 191 of "Ewald_ParticleMesh.cpp"
helpme_standalone.h(2447): error: class "std::vector<std::pair<short, short>, std::allocator<std::pair<short, short>>>" has no member "shrink_to_fit"
splineIterator.shrink_to_fit();
^
detected during:
instantiation of "void helpme::PMEInstance<Real>::common_init(int, Real, int, int, int, int, Real, int) [with Real=double]" at line 4429
instantiation of "void helpme::PMEInstance<Real>::setup(int, Real, int, int, int, int, Real, int) [with Real=double]" at line 179 of "Ewald_ParticleMesh.cpp"
helpme_standalone.h(2451): error: class "std::vector<std::vector<std::pair<short, short>, std::allocator<std::pair<short, short>>>, std::allocator<std::vector<std::pair<s
hort, short>, std::allocator<std::pair<short, short>>>>>" has no member "shrink_to_fit"
gridIterator.shrink_to_fit();
^
detected during:
instantiation of "void helpme::PMEInstance<Real>::common_init(int, Real, int, int, int, int, Real, int) [with Real=double]" at line 4429
instantiation of "void helpme::PMEInstance<Real>::setup(int, Real, int, int, int, int, Real, int) [with Real=double]" at line 179 of "Ewald_ParticleMesh.cpp"
compilation aborted for Ewald_ParticleMesh.cpp (code 2)
==============================================================================
Thanks for any help.
Rob
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Received on Wed Sep 18 2019 - 07:00:02 PDT
