diff --git a/CHANGES/v2.2.txt b/CHANGES/v2.2.txt
index b1a793d84fdec248634a7c943a9dc5d1596485ba..92f1e248a067511d1ada7cc3a4e615f12f921202 100644
--- a/CHANGES/v2.2.txt
+++ b/CHANGES/v2.2.txt
@@ -117,6 +117,8 @@ For users:
- Optimisations (activation of the dependencies, secondary structures, DRMSD)
- Fixed a performance regression with RMSD=OPTIMAL-FAST
- Fixed a bug in the normalization of kernel functions (relevant for \ref HISTOGRAM).
+- Fixed a regression introduced in v2.2 that was making \ref METAD with non-MPI multiple walkers crash
+ if reading frequently. See \issue{190}
- Updated patch for gromacs 5.1
- Possibility to control manual generation (including pdf) from ./configure. Pdf manual is now off
by default. Notice that on travis CI it is still generated.
diff --git a/regtest/basic/rt-mpi6c/Makefile b/regtest/basic/rt-mpi6c/Makefile
new file mode 100644
index 0000000000000000000000000000000000000000..3703b27cea227aa053fb6d1d73f861e4384dbcee
--- /dev/null
+++ b/regtest/basic/rt-mpi6c/Makefile
@@ -0,0 +1 @@
+include ../../scripts/test.make
diff --git a/regtest/basic/rt-mpi6c/colvar.a.reference b/regtest/basic/rt-mpi6c/colvar.a.reference
new file mode 100644
index 0000000000000000000000000000000000000000..6522b1d853d37d2090b71d5212b77412ffe773f6
--- /dev/null
+++ b/regtest/basic/rt-mpi6c/colvar.a.reference
@@ -0,0 +1,1001 @@
+#! FIELDS time c
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diff --git a/regtest/basic/rt-mpi6c/config b/regtest/basic/rt-mpi6c/config
new file mode 100644
index 0000000000000000000000000000000000000000..8c682a0c19671e0641b1f46de55038d29bc70d3d
--- /dev/null
+++ b/regtest/basic/rt-mpi6c/config
@@ -0,0 +1,4 @@
+mpiprocs=3
+type=driver
+# this is to test a different name
+arg="--plumed=plumed.dat --timestep=0.05 --ixyz trajectory.xyz --multi 3"
diff --git a/regtest/basic/rt-mpi6c/plumed.0.dat b/regtest/basic/rt-mpi6c/plumed.0.dat
new file mode 100644
index 0000000000000000000000000000000000000000..ec6980b0f3e8c0bb32dff04453745f27d56d5dc6
--- /dev/null
+++ b/regtest/basic/rt-mpi6c/plumed.0.dat
@@ -0,0 +1,11 @@
+_SET_SUFFIX .a
+c: DISTANCE ATOMS=1,2
+d: DISTANCE ATOMS=2,3
+
+# this is a dummy file, just to enable checking
+PRINT FILE=colvar ARG=c
+
+# the HILLS file are not really checked here since non-mpi walkers are not reproducible
+# however, this example crashes
+single: METAD ARG=c,d SIGMA=0.1,0.2 HEIGHT=0.1 PACE=2 WALKERS_ID=0 WALKERS_DIR=. WALKERS_N=3 WALKERS_RSTRIDE=1
+
diff --git a/regtest/basic/rt-mpi6c/plumed.1.dat b/regtest/basic/rt-mpi6c/plumed.1.dat
new file mode 100644
index 0000000000000000000000000000000000000000..8b44972a3dd1ce2060d0d9d1da2d402080ef5910
--- /dev/null
+++ b/regtest/basic/rt-mpi6c/plumed.1.dat
@@ -0,0 +1,6 @@
+_SET_SUFFIX .a
+c: DISTANCE ATOMS=1,2
+d: DISTANCE ATOMS=2,3
+
+single: METAD ARG=c,d SIGMA=0.1,0.2 HEIGHT=0.1 PACE=2 WALKERS_ID=1 WALKERS_DIR=. WALKERS_N=3 WALKERS_RSTRIDE=1
+
diff --git a/regtest/basic/rt-mpi6c/plumed.2.dat b/regtest/basic/rt-mpi6c/plumed.2.dat
new file mode 100644
index 0000000000000000000000000000000000000000..241664d0aabf00a7fea7ff1658b818395fc7d164
--- /dev/null
+++ b/regtest/basic/rt-mpi6c/plumed.2.dat
@@ -0,0 +1,6 @@
+_SET_SUFFIX .a
+c: DISTANCE ATOMS=1,2
+d: DISTANCE ATOMS=2,3
+
+single: METAD ARG=c,d SIGMA=0.1,0.2 HEIGHT=0.1 PACE=2 WALKERS_ID=2 WALKERS_DIR=. WALKERS_N=3 WALKERS_RSTRIDE=1
+
diff --git a/regtest/basic/rt-mpi6c/trajectory.0.xyz b/regtest/basic/rt-mpi6c/trajectory.0.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..bda14afea4f2aab9cd0b95cd2ead246b5cd5d629
--- /dev/null
+++ b/regtest/basic/rt-mpi6c/trajectory.0.xyz
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new file mode 100644
index 0000000000000000000000000000000000000000..bda14afea4f2aab9cd0b95cd2ead246b5cd5d629
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diff --git a/regtest/basic/rt-mpi6c/trajectory.2.xyz b/regtest/basic/rt-mpi6c/trajectory.2.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..bda14afea4f2aab9cd0b95cd2ead246b5cd5d629
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+3
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diff --git a/src/core/PlumedMain.cpp b/src/core/PlumedMain.cpp
index 964a1d8fe6f19bc28c163b5421b0e91ca03a44f4..e425b7cd99a0cca10ba871ea1ef0f751d590ff2d 100644
--- a/src/core/PlumedMain.cpp
+++ b/src/core/PlumedMain.cpp
@@ -499,6 +499,7 @@ void PlumedMain::readInputFile(std::string str){
IFile ifile;
ifile.link(*this);
ifile.open(str);
+ ifile.allowNoEOL();
std::vector<std::string> words;
while(Tools::getParsedLine(ifile,words) && words[0]!="ENDPLUMED") readInputWords(words);
log.printf("END FILE: %s\n",str.c_str());
diff --git a/src/tools/IFile.cpp b/src/tools/IFile.cpp
index 8352ebf92b61a2dc30e48a8727a15958889d526f..b6f6a687d101cbdf9ff2b287a697c229ea82e25d 100644
--- a/src/tools/IFile.cpp
+++ b/src/tools/IFile.cpp
@@ -187,7 +187,8 @@ IFile& IFile::scanField(){
IFile::IFile():
inMiddleOfField(false),
- ignoreFields(false)
+ ignoreFields(false),
+ noEOL(false)
{
}
@@ -198,9 +199,8 @@ IFile::~IFile(){
IFile& IFile::getline(std::string &str){
char tmp=0;
str="";
-// I comment out this (see note below on commented fgetpos):
-// fpos_t pos;
-// fgetpos(fp,&pos);
+ fpos_t pos;
+ fgetpos(fp,&pos);
while(llread(&tmp,1)==1 && tmp && tmp!='\n' && tmp!='\r' && !eof && !err){
str+=tmp;
}
@@ -208,11 +208,12 @@ IFile& IFile::getline(std::string &str){
llread(&tmp,1);
plumed_massert(tmp=='\n',"plumed only accepts \\n (unix) or \\r\\n (dos) new lines");
}
- if(eof){
- if(str.length()>0) eof=false;
- } else if(err || tmp!='\n'){
+ if(eof && noEOL){
+ if(str.length()>0) eof=false;
+ } else if(eof || err || tmp!='\n'){
eof = true;
str="";
+ if(!err) fsetpos(fp,&pos);
// there was a fsetpos here that apparently is not necessary
// fsetpos(fp,&pos);
// I think it was necessary to have rewind working correctly
@@ -245,4 +246,8 @@ void IFile::allowIgnoredFields(){
ignoreFields=true;
}
+void IFile::allowNoEOL(){
+ noEOL=true;
+}
+
}
diff --git a/src/tools/IFile.h b/src/tools/IFile.h
index 527401c60a4f7ee494070d2b671139d88ba33c12..222f4a8ead4314662132b7b5b7981511ffd6c375 100644
--- a/src/tools/IFile.h
+++ b/src/tools/IFile.h
@@ -55,6 +55,8 @@ public virtual FileBase{
bool inMiddleOfField;
/// Set to true if you want to allow fields to be ignored in the read in file
bool ignoreFields;
+/// Set to true to allow files without end-of-line at the end
+ bool noEOL;
/// Advance to next field (= read one line)
IFile& advanceField();
/// Find field index by name
@@ -93,6 +95,10 @@ Typically used as
IFile& scanField(Value* val);
/// Allow some of the fields in the input to be ignored
void allowIgnoredFields();
+/// Allow files without EOL at the end.
+/// This in practice should be only used when opening
+/// plumed input files
+ void allowNoEOL();
};
}