changes to avoid PMPI_Scatterv: Invalid buffer pointer in Intel MPI

[unres.git] / source / unres / src_MD / Makefile_MPICH_ifort

diff --git a/source/unres/src_MD/Makefile_MPICH_ifort b/source/unres/src_MD/Makefile_MPICH_ifort
index 3d99570..8a07ff9 100644 (file)
--- a/source/unres/src_MD/Makefile_MPICH_ifort
+++ b/source/unres/src_MD/Makefile_MPICH_ifort
@@ -10,6 +10,8 @@ FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
 FFLAGS1 = -c  -g -CA -CB -I$(INSTALL_DIR)/include 
 FFLAGS2 = -c  -g -O0 -I$(INSTALL_DIR)/include  
 FFLAGSE = -c  -O3 -ipo  -opt_report -I$(INSTALL_DIR)/include
+#FFLAGS = ${FFLAGS1}
+#FFLAGSE = ${FFLAGS1}
 
 
 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
@@ -40,7 +42,7 @@ object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
         intcartderiv.o lagrangian_lesyng.o\
        stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
         surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
-        q_measure.o gnmr1.o test.o ssMD.o
+        q_measure.o gnmr1.o test.o dfa.o ssMD.o
 
 no_option:
 
@@ -100,13 +102,13 @@ readpdb.o : readpdb.F
        ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
 
 sumsld.o : sumsld.f
-       ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
+       ${FC} ${FFLAGS2} ${CPPFLAGS} sumsld.f
         
 cored.o : cored.f
-       ${FC} ${FFLAGS1} ${CPPFLAGS} cored.f
+       ${FC} ${FFLAGS2} ${CPPFLAGS} cored.f
  
 rmdd.o : rmdd.f
-       ${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f
+       ${FC} ${FFLAGS2} ${CPPFLAGS} rmdd.f
 
 energy_p_new_barrier.o : energy_p_new_barrier.F
        ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new_barrier.F