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</o:shapelayout></xml><![endif]--></head><body lang=ZH-CN link="#0563C1" vlink="#954F72" style='text-justify-trim:punctuation'><div class=WordSection1><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New"'>Dear Molpro Users/Developers<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New"'><o:p> </o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New"'>I am trying to compile mrcc with Molpro 2012.1.7 using intel compiler and em64t MKL library in CENTOS 5.2 system. I get the following error during the make of mrcc.<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New"'><o:p> </o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New";color:#0070C0'>make[1]: Entering directory `/work1/private/chenjun/make-tmp/Molpro_2012.1.7/mrcc'<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New";color:#0070C0'>...<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New";color:#0070C0'>linking ../bin/dmrcc<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New";color:#0070C0'>failed<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New";color:#0070C0'>combin.o: In function `putint_':<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New";color:#0070C0'>combin.F:(.text+0x1725): undefined reference to `putlst_'<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New";color:#0070C0'>combin.o: In function `getint_':<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New";color:#0070C0'>combin.F:(.text+0x1796): undefined reference to `getlst_'<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New";color:#0070C0'>make[1]: *** [../bin/dmrcc] Error 1<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New";color:#0070C0'>make[1]: Leaving directory `/work1/private/chenjun/make-tmp/Molpro_2012.1.7/mrcc'<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New";color:#0070C0'>make: *** [mrcc] Error 2<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New"'><o:p> </o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New"'>In fact, I could not even find combin.F in Molpro’s src directories.<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New"'>Does anyone have some suggestions?<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New"'><o:p> </o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New"'>Best wishes,<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New"'>Jun<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New"'><o:p> </o:p></span></p><p class=MsoNormal align=left style='text-align:left'><span lang=EN-US style='font-size:9.0pt;font-family:"Times New Roman","serif";color:#666666'>———————————————————————</span><span lang=EN-US style='font-size:9.0pt;font-family:"Times New Roman","serif";color:black'><o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-indent:9.0pt'><span lang=EN-US style='font-size:10.0pt;font-family:"Times New Roman","serif";color:#666666'>Jun CHEN<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-indent:9.0pt'><span lang=EN-US style='font-size:10.0pt;font-family:"Times New Roman","serif";color:#666666'>Tel.: +86-411-84379733<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-indent:9.0pt'><span lang=EN-US style='font-size:10.0pt;font-family:"Times New Roman","serif";color:#666666'> +86-13795172670<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-indent:9.0pt'><span lang=EN-US style='font-size:10.0pt;font-family:"Times New Roman","serif";color:#666666'>Dalian Institute of Chemical Physics, CAS<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-indent:9.0pt'><span lang=EN-US style='font-size:10.0pt;font-family:"Times New Roman","serif";color:#666666'>457 Zhongshan Road, Dalian, China, 116023<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal align=left style='text-align:left;text-autospace:none'><span lang=EN-US style='font-size:14.0pt;font-family:"Courier New"'><o:p> </o:p></span></p></div></body></html>