Hi All,
I'm seeing an error (attached) for compiling AmberTool18 cpptraj with Intel
16.0.4 on RHEL 6.9.
Here is the cpptraj config line:
./configure -libstatic -fftw3 --with-fftw3=/usr/local/programs/amber18
--with-sanderlib=/usr/local/programs/amber18
--with-netcdf=/usr/local/programs/amber18 -mkl
--prefix=/usr/local/programs/amber18 --requires-flink
--with-arpack=/usr/local/programs/amber18 -shared --skip-checks intel
Here is a snippet of the error:
libpme_standalone.h(389): error: function call must have a constant value
in a constant expression static constexpr long double epsilon = 10.0 *
std::numeric_limits<long double>::epsilon();
libpme_standalone.h(2174): error: namespace "std" has no member
"runtime_error" throw std::runtime_error("Unexpected complex eigenvalues
encountered while making shape matrix.");
The problem seems confined to Ewald_ParticleMesh.cpp and appears to be
related to C++11. If I configure cpptraj with "-noc++11", it completes
without an error.
Best,
--Niel
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Received on Thu Apr 19 2018 - 08:00:03 PDT
