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Error Report：
Error – FFTW Library Missing PLUMED Support - Optimization Solution:
This issue arose due to the unavailability of PLUMED library support for the FFTW library during compilation. It is essential to resolve this, as both libraries are fundamental to Qbics' computations, particularly when performing advanced simulations in computational chemistry.
To address this, in the Makefile-linux-cpu file, add $(LIBPLUMED) before $(LIBFFTW) in the LIBS section. This ensures the PLUMED library is correctly linked prior to FFTW, enabling proper functionality and preventing runtime errors.
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Error Report：
Fatal Error – g++: Killed Signal Terminated Program cclplus - Optimization Solution:
This error indicates that memory or computational resources were insufficient during the linking stage. Adjusting the compilation optimization level can help mitigate resource demands and stabilize the build process.
Set CXXFLAGS="-O1". For cases involving the PLUMED library, this can be specified within build.sh by including export CXXFLAGS="-O1" in the PLUMED section. Additionally, remove parallel commands after make by deleting -j${numCores} to prevent excessive memory usage.
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Error Report：
Memory Limitation Issue – "cclplus" - Optimization Solution:
The compilation encountered memory limitations due to the complex calculations required by cclplus, potentially leading to crashes or timeouts in low-resource environments.
In the Makefile-linux-cpu file, modify CXXFLAG from -O2 to -O1. This adjustment reduces the optimization level, allowing compilation to proceed with reduced memory demand, improving compatibility with limited-resource servers.