Dear&nbsp;Sir:<br>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;I'm&nbsp;a&nbsp;newer&nbsp;on&nbsp;CPMD.&nbsp;The&nbsp;version&nbsp;of&nbsp;Linux&nbsp;I&nbsp;installed&nbsp;was&nbsp;Redhat&nbsp;9.0&nbsp;.&nbsp;I&nbsp;hav<br>e&nbsp;compiled&nbsp;&nbsp;a&nbsp;serial&nbsp;CPMD3.9&nbsp;(the&nbsp;platform&nbsp;I&nbsp;chosen&nbsp;was&nbsp;PC-PGI)&nbsp;executable&nbsp;for&nbsp;an<br>&nbsp;Intel4&nbsp;processor&nbsp;with&nbsp;the&nbsp;pgf90,&nbsp;but&nbsp;when&nbsp;I&nbsp;tried&nbsp;to&nbsp;compiled&nbsp;a&nbsp;parallel&nbsp;CPMD3.9<br>&nbsp;with&nbsp;pgf90&nbsp;(I&nbsp;chosen&nbsp;the&nbsp;PC-PGI-MPI&nbsp;platform),&nbsp;the&nbsp;error&nbsp;such&nbsp;as&nbsp;<br>ˇ°&nbsp;<br>rm&nbsp;-f&nbsp;cpmd.f<br>/lib/cpp&nbsp;-P&nbsp;-C&nbsp;-traditional&nbsp;-D__Linux&nbsp;-D__PGI&nbsp;-DLAPACK&nbsp;-DFFT_DEFAULT&nbsp;-DPARALLEL<br>-DMP_LIBRARY=__MPI&nbsp;-DMYRINET&nbsp;&nbsp;&nbsp;/home/shyma/cpmd/P-CPMD-3.9.1/SOURCE/cpmd.F&nbsp;./cpmd<br>.f<br>mpif77&nbsp;-c&nbsp;-fast&nbsp;-I.&nbsp;-I/home/shyma/cpmd/P-CPMD-3.9.1/SOURCE&nbsp;-Mr8&nbsp;-pc64&nbsp;&nbsp;&nbsp;./cpmd.f&nbsp;<br>-o&nbsp;&nbsp;./cpmd.o<br>g77:&nbsp;unrecognized&nbsp;option&nbsp;`-Mr8'<br>g77:&nbsp;unrecognized&nbsp;option&nbsp;`-pc64'<br>f771:&nbsp;unrecognized&nbsp;option&nbsp;`-fast'<br>mpif77:&nbsp;No&nbsp;such&nbsp;file&nbsp;or&nbsp;directory<br>make:&nbsp;***&nbsp;[cpmd.o]&nbsp;Error&nbsp;1&nbsp;&nbsp;&nbsp;&nbsp;ˇ°&nbsp;displayed.<br><br>TO&nbsp;find&nbsp;a&nbsp;solution,&nbsp;I&nbsp;change&nbsp;the&nbsp;ˇ°Makefileˇ±(in&nbsp;fact&nbsp;i&nbsp;didn't&nbsp;understand&nbsp;it&nbsp;clea<br>rly)&nbsp;as&nbsp;fellows<br>&quot;ˇ­ˇ­<br>#<br>SHELL&nbsp;=&nbsp;/bin/sh<br>#<br>#---------------&nbsp;Default&nbsp;Configuration&nbsp;for&nbsp;pc-pgi-mpi&nbsp;---------------<br>SRC&nbsp;&nbsp;=&nbsp;.<br>DEST&nbsp;=&nbsp;.<br>BIN&nbsp;&nbsp;=&nbsp;.<br>#QMMM_FLAGS&nbsp;=&nbsp;-D__QMECHCOUPL<br>#QMMM_LIBS&nbsp;&nbsp;=&nbsp;-L.&nbsp;-lmm<br>FFLAGS&nbsp;=&nbsp;-Mr8&nbsp;-tp&nbsp;p7&nbsp;&nbsp;<br>LFLAGS&nbsp;=&nbsp;-Bstatic&nbsp;-L.&nbsp;-latlas&nbsp;$(QMMM_LIBS)<br>CFLAGS&nbsp;=&nbsp;<br>CPP&nbsp;=&nbsp;/lib/cpp&nbsp;-P&nbsp;-C&nbsp;-traditional<br>CPPFLAGS&nbsp;=&nbsp;-D__Linux&nbsp;-D__PGI&nbsp;-DLAPACK&nbsp;-DFFT_DEFAULT&nbsp;-DPOINTER8&nbsp;-D_pgf90\<br>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;-DPARALLEL&nbsp;-DMP_LIBRARY=__MPI&nbsp;-DMYRINET&nbsp;&nbsp;<br>NOOPT_FLAG&nbsp;=&nbsp;<br>CC&nbsp;=&nbsp;cc<br>FC&nbsp;=&nbsp;mpipgf90&nbsp;-c&nbsp;-fast<br>LD&nbsp;=&nbsp;mpipgf90&nbsp;-fast<br>AR&nbsp;=&nbsp;<br>#----------------------------------------------------------------------------<br>&nbsp;&nbsp;<br>#----------------------------------------------------------------------------<br>#&nbsp;Personal&nbsp;Configuration<br>#----------------------------------------------------------------------------<br>SRC&nbsp;=&nbsp;/home/shyma/cpmd/P-CPMD-3.9.1/SOURCE<br>FC&nbsp;=&nbsp;mpipgf90&nbsp;-c&nbsp;-fast&nbsp;-I.&nbsp;-I$(SRC)<br>ˇ±<br><br>the&nbsp;problem&nbsp;still&nbsp;exists,&nbsp;the&nbsp;end&nbsp;part&nbsp;of&nbsp;the&nbsp;complied&nbsp;process&nbsp;like&nbsp;this<br>&quot;ˇ­ˇ­<br>.o&nbsp;mm_mddiag.o&nbsp;mm_forces_diag.o&nbsp;mm_rho_forcedr.o&nbsp;vdwin.o&nbsp;vdw.o&nbsp;bs_forces_diag.o<br>bswfo.o&nbsp;lsforce.o&nbsp;setbsstate.o&nbsp;wrccfl.o&nbsp;&nbsp;sysdepend.o&nbsp;&nbsp;-Bstatic&nbsp;-L.&nbsp;-latlas<br>/usr/bin/ld:&nbsp;cannot&nbsp;find&nbsp;-laio<br>make:&nbsp;***&nbsp;[cpmd.x]&nbsp;Error&nbsp;2<br>ˇ±<br>so&nbsp;what&nbsp;should&nbsp;I&nbsp;do&nbsp;to&nbsp;settle&nbsp;the&nbsp;problem&nbsp;and&nbsp;complie&nbsp;a&nbsp;parallel&nbsp;CPMD&nbsp;executable.<br>&nbsp;And&nbsp;how&nbsp;change&nbsp;the&nbsp;script&nbsp;or&nbsp;Makefile&nbsp;to&nbsp;suit&nbsp;my&nbsp;computer(&nbsp;RedHat9.0,intel4&nbsp;and&nbsp;<br>2.3G,&nbsp;pgi5.2,&nbsp;lam-mpi7.0.6).<br><br>I&nbsp;appreciate&nbsp;any&nbsp;help!<br><br>Best&nbsp;wishes!<br><br>yourse&nbsp;shyma<br>