[AMBER] Question about build Amber20 with Intel compiler 2019 from Chen, Guoquan on 2021-12-14 (Amber Archive Dec 2021)

From: Chen, Guoquan <guoquan.chen.intel.com>
Date: Tue, 14 Dec 2021 20:26:05 +0000

Hi,

 I used to build Amber 20 (Amber Tools, Amber) with Intel compiler 2019 successfully. My machine is Ubuntu 21.04.
Now when I try to rebuild it, it always give me error while compiling boost during Amber tools building. (GCC building works fine, intel LLVM based ICX works fine for Amber tools (including boost), but I can't build cuda with it fpr pmemd)

BTW, I checked my previous successful building Log with ICC 2019, and also from GCC, and found that
has_icu builds is always Yes for both.

 Thanks a lot for any help/suggestion/advice,

 gqchen

 cmake $AMBER_PREFIX/amber20_src \
 -DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber20_cuda_icc\
 -DCOMPILER=INTEL -DOPENMP=FALSE \
 -DMPI=FALSE -DCUDA=TRUE -DINSTALL_TESTS=TRUE \
-DDOWNLOAD_MINICONDA=TRUE -DMINICONDA_USE_PY3=TRUE

[ 18%] No configure step for 'boost_build'
[ 18%] Performing build step for 'boost_build'
Performing configuration checks

 - default address-model : 64-bit
 - default architecture : x86

Building the Boost C++ Libraries.

 - has_icu builds : no
 - zlib : yes
 - bzip2 : yes
 - lzma : no
- lockfree boost::atomic_flag : no

In file included from ./boost/config/compiler/intel.hpp(44),
 from ./boost/config.hpp(39),
 from ./boost/system/config.hpp(13),
 from ./boost/system/error_code.hpp(15),
 from libs/system/src/error_code.cpp(16):
./boost/config/compiler/gcc.hpp(346): error: #error directive: "Compiler not configured - please reconfigure"
 # error "Compiler not configured - please reconfigure"
 ^
./boost/config/stdlib/libstdcpp3.hpp(206): error: expected an expression
 # if !_GLIBCXX_DEPRECATED
 ^

In file included from ./boost/chrono/detail/system.hpp(11),
 from ./boost/chrono/system_clocks.hpp(64),
 from ./boost/chrono/chrono.hpp(13),
 from libs/timer/src/cpu_timer.cpp(17):
./boost/system/error_code.hpp(314): error: constexpr constructor calls non-constexpr function "boost::noncopyable_::noncopyable::noncopyable()"
 BOOST_SYSTEM_CONSTEXPR error_category() BOOST_SYSTEM_NOEXCEPT: std_cat_( this ) {}
 ^

compilation aborted for libs/timer/src/cpu_timer.cpp (code 2)

 "/opt/intel/compilers_and_libraries_2019.5.281/linux/bin/intel64/icpc" -c -xc++ -m64 -pthread -O0 -g -w1 -inline-level=0 -DBOOST_ALL_NO_LIB=1 -DBOOST_CHRON
O_STATIC_LINK=1 -DBOOST_SYSTEM_NO_DEPRECATED -DBOOST_SYSTEM_STATIC_LINK=1 -DBOOST_TIMER_STATIC_LINK=1 -I"." -c -o "/scratch/users/guoquanc/amber20_src/build/Am
berTools/src/boost/build/boost/bin.v2/libs/timer/build/intel-linux-ambercmake/debug/link-static/threading-multi/cpu_timer.o" "libs/timer/src/cpu_timer.cpp"

...failed intel-linux.compile.c++ amber20_src/build/AmberTools/src/boost/build/boost/bin.v2/libs/timer/build/intel-linux-ambercmake/debug
/link-static/threading-multi/cpu_timer.o...
...skipped libboost_timer.a(clean) for lack of auto_timers_construction.o...
...skipped libboost_timer.a for lack of auto_timers_construction.o...
...skipped libboost_timer.a for lack of libboost_timer.a...
...failed updating 53 targets...

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Received on Tue Dec 14 2021 - 12:30:02 PST