added --initial-step to driver

added a two regtests
close #243

regtest/basic/rt-mpi10/Makefile

+include ../../scripts/test.make

regtest/basic/rt-mpi10/col1.0.reference

+#! FIELDS time c
+ 0.150000 15.119
+ 0.200000 15.094
+ 0.250000 15.352
+ 0.300000 15.714
+ 0.350000 15.764
+ 0.400000 15.119
+ 0.450000 15.094
+ 0.500000 15.352
+ 0.550000 15.714
+ 0.600000 15.764

regtest/basic/rt-mpi10/col1.1.reference

+#! FIELDS time c
+ 0.150000 15.764
+ 0.200000 15.714
+ 0.250000 15.352
+ 0.300000 15.094
+ 0.350000 15.119
+ 0.400000 15.764
+ 0.450000 15.714
+ 0.500000 15.352
+ 0.550000 15.094
+ 0.600000 15.119

regtest/basic/rt-mpi10/col1.2.reference

+#! FIELDS time c
+ 0.150000 15.094
+ 0.200000 15.352
+ 0.250000 15.119
+ 0.300000 15.764
+ 0.350000 15.714
+ 0.400000 15.094
+ 0.450000 15.352
+ 0.500000 15.119
+ 0.550000 15.764
+ 0.600000 15.714

regtest/basic/rt-mpi10/col2.0.reference

+#! FIELDS time cexp
+ 0.200000  0.000
+ 0.300000  0.000
+ 0.400000  0.000
+ 0.500000  0.000
+ 0.600000  0.000

regtest/basic/rt-mpi10/col2.1.reference

+#! FIELDS time cexp
+ 0.200000  0.000
+ 0.300000  0.000
+ 0.400000  0.000
+ 0.500000  0.000
+ 0.600000  0.000

regtest/basic/rt-mpi10/col2.2.reference

+#! FIELDS time cexp
+ 0.200000  0.000
+ 0.300000  0.000
+ 0.400000  0.000
+ 0.500000  0.000
+ 0.600000  0.000

regtest/basic/rt-mpi10/col3.0.reference

+#! FIELDS time cgaus dist dip dip2
+ 0.150000  0.000  2.001 13.597 30.718
+ 0.300000  0.000  1.991 14.785 30.472
+ 0.450000  0.000  1.984 13.952 30.612
+ 0.600000  0.000  1.985 14.926 30.477

regtest/basic/rt-mpi10/col3.1.reference

+#! FIELDS time cgaus dist dip dip2
+ 0.150000  0.000  1.985 14.926 30.477
+ 0.300000  0.000  1.984 13.952 30.612
+ 0.450000  0.000  1.991 14.785 30.472
+ 0.600000  0.000  2.001 13.597 30.718

regtest/basic/rt-mpi10/col3.2.reference

+#! FIELDS time cgaus dist dip dip2
+ 0.150000  0.000  1.984 13.952 30.612
+ 0.300000  0.000  1.985 14.926 30.477
+ 0.450000  0.000  1.987 14.420 30.506
+ 0.600000  0.000  1.991 14.785 30.472

regtest/basic/rt-mpi10/config

+mpiprocs=6
+type=driver
+arg="--plumed=plumed.dat --timestep=0.05 --ixyz trajectory.xyz --dump-forces ff --pdb test.pdb --multi 3 --debug-dd --debug-grex 6 --debug-grex-log log.grex --initial-step 3"

regtest/basic/rt-mpi10/log.grex.0.reference

+ -1.251100 1.251100 0.000000
+ 0.000000 1.237864 -1.237864

regtest/basic/rt-mpi10/log.grex.1.reference

+ -1.251100 1.251100 0.000000
+ 0.000000 1.237864 -1.237864

regtest/basic/rt-mpi10/log.grex.2.reference

+ -1.251100 1.251100 0.000000
+ 0.000000 1.237864 -1.237864