<div dir="ltr"><div dir="ltr">Dear Matthias,<div><br></div><div>Thank you very much for your kind help. It works like a charm. I will show content of the working ARCH file below.</div><div><br></div><div><p style="margin:0in;font-family:Calibri;font-size:11.0pt"># CP2K 2.6 Tested
with: GFortran 4.9.1, OPENMPI 1.6.5</p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt">CC = cc</p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt">CPP =</p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt">FC = mpif90</p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt">LD = mpif90</p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt">AR = ar -r</p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt">DFLAGS =
-D__FFTSG -D__parallel
-D__SCALAPACK -D__FFTW3 </p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt">CPPFLAGS =</p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt">FCFLAGS = $(DFLAGS)
-ffree-form -O2 -ffast-math -march=opteron -cpp -g</p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt">LDFLAGS = $(FCFLAGS)</p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt">LIBS = -L/usr/lib -lscalapack-openmpi
-lblacsF77init-openmpi -lblacs-openmpi -llapack -lblas -lfftw3</p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt"> </p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt">OBJECTS_ARCHITECTURE
= machine_gfortran.o</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"><br></p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"><br></p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">Hope this can be helpful for someone stuck with compiling CP2K 2.6. </p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"><br></p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"><br></p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">Hang</p><br></div></div></div>