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dlthl(½ð±Ò+2):Ó¦¸Ã²»ÊÇÕâ¸öÎÊÌ⣬¸Ðл»Ø´ð 2010-10-12 14:04:40
zzy870720z(½ð±Ò+1):лл½â´ð 2010-10-12 14:09:13
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Error in allocating /variable/ in /function/  (CASTEP versions <= 4.0.1)
Out of RAM for /variable/ in /function/       (CASTEP versions >= 4.1)

this means that CASTEP requested some memory from the operating system (using Fortran's ALLOCATE statement) and the request was denied, usually because available memory has been exhausted. After checking that your input settings do not contain an error, your options are:
  to use some of CASTEP's memory-saving options eg set parameter OPT_STRATEGY=MEMORY (or OPT_STRATEGY_BIAS to 0 or -3) and PAGE_WVFNS=-1 or PAGE_WVFNS=/max-size/
  to find a computer with more memory to run on, (or go to your local computer shop, buy and install some additional memory)
  If on a parallel system, increase the number of processors for the job. This way the total memory needed will be distributed over a larger number of processes, and the requirement per processor will be smaller
5Â¥2010-10-12 12:59:38
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