[CP2K-user] Problem when install CP2K with PLUMED

[Ke Zhou]

Dear All, 


Now I am installing CP2K (v6.1) with plumed (v2.3.8).

But it shows errors as follow. Can anyone help me to solve this problem?



..

mpif90 -c -D__MKL -D__FFTW3 -D__HAS_NO_SHARED_GLIBC -D__LIBXSMM 
-D__parallel -D__SCALAPACK -D__ELPA=201705 -D__LIBXC -D__LIBINT 
-D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4  -D__PLUMED2 -O2 
-ffast-math -ffree-form -ffree-line-length-none -ftree-vectorize 
-funroll-loops -mtune=native -std=f2008 
-I/apps/intel/compilers/2018/u1/compilers_and_libraries_2018.1.163/linux/mkl/include 
-I/apps/intel/compilers/2018/u1/compilers_and_libraries_2018.1.163/linux/mkl/include/fftw 
-I/apps/lib/libxsmm/1.9.0/e5/gnu/include 
-I/apps/lib/libxc/4.0.4/e5/gnu/include 
-I/apps/lib/elpa/2017.05.002/e5/gnu/include/elpa-2017.05.002/modules 
-I/apps/lib/elpa/2017.05.002/e5/gnu/include/elpa-2017.05.002/elpa 
-D__COMPILE_ARCH="\"Linux-x86-64-intel\"" -D__COMPILE_DATE="\"2020年 04月 15日 
星期三 16:41:19 CST\"" -D__COMPILE_HOST="\"ln01\"" 
-D__COMPILE_REVISION="\"svn:18464\"" 
-D__DATA_DIR="\"/home/xuzp/WORK/ZHOUKE/PACAKGE/cp2k-6.1.0/data\"" 
-D__SHORT_FILE__="\"swarm/swarm_master.F\"" 
-I'/home/xuzp/WORK/ZHOUKE/PACAKGE/cp2k-6.1.0/src/swarm/' swarm_master.F90 

/home/xuzp/WORK/ZHOUKE/PACAKGE/cp2k-6.1.0/src/metadynamics.F:117.49:


      CALL pbc_cp2k_plumed_getset_cell(cell, set=.TRUE.) !Store the cell 
pointe

                                                 1

错误： (1)处过程‘pbc_cp2k_plumed_getset_cell’的关键字参数要求显式的接口

make[3]: *** [metadynamics.o] 错误 1

make[3]: *** 正在等待未完成的任务....

/gpfs01/xuzp_work/ZHOUKE/PACAKGE/plumed-2.3.8-2/src/colvar/CS2Backbone.o：在函数‘PLMD::colvar::CS2Backbone::compute_dihedrals() 
[clone ._omp_fn.2]’中：

...




The attachment is makefile. 


Best,

Justin 



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