<div dir="ltr"><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><span style="font-variant-ligatures: no-common-ligatures;"><font size="2">Dear All, </font></span></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><span style="font-variant-ligatures: no-common-ligatures"><font size="2"><br></font></span></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><span style="font-variant-ligatures: no-common-ligatures"><font size="2">Now I am installing CP2K (v6.1) with plumed (v2.3.8).</font></span></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><span style="font-variant-ligatures: no-common-ligatures"><font size="2">But it shows errors as follow. Can anyone help me to solve this problem?</font></span></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><span style="font-variant-ligatures: no-common-ligatures"><font size="2"><br></font></span></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><span style="font-variant-ligatures: no-common-ligatures"><font size="2"><br></font></span></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><span style="font-variant-ligatures: no-common-ligatures;"><font size="2">..</font></span></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><span style="font-variant-ligatures: no-common-ligatures;"><font size="2">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 </font></span></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><span style="font-variant-ligatures: no-common-ligatures;"><font size="2">/home/xuzp/WORK/ZHOUKE/PACAKGE/cp2k-6.1.0/src/metadynamics.F:117.49:</font></span></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0); min-height: 28px;"><font size="2"><span style="font-variant-ligatures: no-common-ligatures;"></span><br></font></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><span style="font-variant-ligatures: no-common-ligatures;"><font size="2"> CALL pbc_cp2k_plumed_getset_cell(cell, set=.TRUE.) !Store the cell pointe</font></span></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><span style="font-variant-ligatures: no-common-ligatures;"><font size="2"> 1</font></span></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><span style="font-variant-ligatures: no-common-ligatures;"><font size="2">错误： (1)处过程‘pbc_cp2k_plumed_getset_cell’的关键字参数要求显式的接口</font></span></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><span style="font-variant-ligatures: no-common-ligatures;"><font size="2">make[3]: *** [metadynamics.o] 错误 1</font></span></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><span style="font-variant-ligatures: no-common-ligatures;"><font size="2">make[3]: *** 正在等待未完成的任务....</font></span></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><span style="font-variant-ligatures: no-common-ligatures;"><font size="2">/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：</font></span></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><span style="font-variant-ligatures: no-common-ligatures;"><font size="2">...</font></span></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><span style="font-variant-ligatures: no-common-ligatures;"><font size="2"><br></font></span></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><br></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><br></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);">The attachment is makefile. </p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><br></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><span style="font-variant-ligatures: no-common-ligatures"><font size="2">Best,</font></span></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><span style="font-variant-ligatures: no-common-ligatures"><font size="2">Justin </font></span></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><span style="font-variant-ligatures: no-common-ligatures"><font size="2"><br></font></span></p><p style="font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);"><br></p></div>