单的解决方法为:试着在unix下直接写一个。或者dos2unix filename4. VASP计算出现SegmentationFault而终止运算 在makefile中FFLAGS后面添加-heap-arrays,例如: FFLAGS=-FR-lowercase-assumebyterecl -heap-arrays 5. WARNING:aliasingerrorsmustbeexpectedsetNGX ...
或者dos2unixfilename4.VASP计算出现SegmentationFault而终止运算在makefile中FFLAGS后面添加-heap-arrays,例如:FFLAGS=-FR-lowercase-assumebyterecl-heap-arrays5.WARNING:aliasingerrorsmustbeexpectedsetNGXto154toavoidthemWARNING:...
在makefile中 FFLAGS 后面添加-heap-arrays,例如: FFLAGS = -FR -lowercase -assume byterecl -heap-arrays 5. WARNING: aliasing errors must be expected set NGX to 154 to avoid them WARNING: aliasing errors must be expected set NGY to 158 to avoid them ...
当然 这期间我也在FLAG中加入了-heap-arrays 64 来以防万一。总结 VASP新的版本有了54pot文件,而且...
3、加-heap-arrays,例如:FFLAGS = -FR -lowercase -assume byterecl -heap-arraysWARNING: aliasi ng errors must be expected set NGX to 154 to avoid themWARNING: aliasi ng errors must be expected set NGY to 158 to avoid themWARNING: aliasi ng errors must be expected set NGZ to 126 to avo...
在makefile中 FFLAGS 后面添加-heap-arrays,例如: FFLAGS = -FR -lowercase -assume byterecl -heap-arrays 5. WARNING: aliasing errors must be expected set NGX to 154 to avoid them WARNING: aliasing errors must be expected set NGY to 158 to avoid them WARNING: aliasing errors must be expected ...
5.WARNING: aliasing errors must be expected set NGX to 154 to avoid them WARNING: aliasing ...
编译gpu版本的vasp需要cuda makefile.include配置文件中: FFLAGS = -assume byterecl -w -xHOST 改为 FFLAGS = -assume byterecl -w -heap-arrays 64 CUDA_ROOT ?= /usr/local/cuda cuda的默认路径,为一个链接,一般不用改 GENCODE_ARCH := -gencode=arch=compute_30,code=\"sm_30,compute_30\" 根据显...
VASP计算出现Segmentation Fault而终止运算 在makefile中 FFLAGS 后面添加-heap-arrays,例如: FFLAGS = -FR -lowercase -assume byterecl -heap-arrays 5. WARNING: aliasing errors must be expected set NGX to 154 to avoid them WARNING: aliasing errors must be expected set NGY to 158 to avoid them ...
(1) makefile.include文件中下面内容添加红色部分 FFLAGS = -assume byterecl -FR FFLAGS = -assume byterecl -FR -heap-arrays (2) use smaller cell or more cores (3) 在提交任务的脚本或者~/.bashrc文件添加下面内容 ulimit -s unlimited (堆栈大小) Q2、BRMIX: very serious problems the old and the...