Commit 0a5984d9 authored by Pilar Cossio's avatar Pilar Cossio

Corrections David: remove deprecated FFT_COMPATIBILITY_NATIVE, and use FFTW...

Corrections David: remove deprecated FFT_COMPATIBILITY_NATIVE, and use FFTW padding, fix non-zero error code & compiler warrings
parent 8ac4923a
Pipeline #8625 passed with stage
in 1 minute and 19 seconds
......@@ -509,7 +509,7 @@ int bioem_cuda::deviceStartRun()
cout << "Error planning CUFFT\n";
exit(1);
}
if (cufftSetCompatibilityMode(plan[i][j], CUFFT_COMPATIBILITY_NATIVE) != CUFFT_SUCCESS)
if (cufftSetCompatibilityMode(plan[i][j], CUFFT_COMPATIBILITY_FFTW_PADDING) != CUFFT_SUCCESS)
{
cout << "Error planning CUFFT compatibility\n";
exit(1);
......
......@@ -3,13 +3,16 @@
Copyright (C) 2016 Pilar Cossio, David Rohr, Fabio Baruffa, Markus Rampp,
Volker Lindenstruth and Gerhard Hummer.
Max Planck Institute of Biophysics, Frankfurt, Germany.
Frankfurt Institute for Advanced Studies, Goethe University Frankfurt, Germany.
Max Planck Computing and Data Facility, Garching, Germany.
Released under the GNU Public License, v3.
See license statement for terms of distribution.
Note: This program contains subroutine "read_MRC" of the Situs 2.7.2 program.
Ref: Willy Wriggers. Using Situs for the Integration of Multi-Resolution Structures.
Biophysical Reviews, 2010, Vol. 2, pp. 21-27.
with a GPL lisences version XX.
with a GPL lisences version 3.
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++*/
......@@ -49,9 +52,21 @@ int bioem_RefMap::readRefMaps(bioem_param& param, const char* filemap)
cout << "Error opening dump file\n";
exit(1);
}
fread(&ntotRefMap, sizeof(ntotRefMap), 1, fp);
size_t elements_read;
elements_read = fread(&ntotRefMap, sizeof(ntotRefMap), 1, fp);
if (elements_read != 1)
{
cout << "Error reading file\n";
exit(1);
}
maps = (myfloat_t*) mallocchk(ntotRefMap * refMapSize * sizeof(myfloat_t));
fread(maps, sizeof(myfloat_t) * refMapSize, ntotRefMap, fp);
elements_read = fread(maps, sizeof(myfloat_t) * refMapSize, ntotRefMap, fp);
if (elements_read != (size_t) ntotRefMap)
{
cout << "Error reading file\n";
exit(1);
}
fclose(fp);
cout << "Particle Maps read from Map Dump\n";
......@@ -71,7 +86,7 @@ int bioem_RefMap::readRefMaps(bioem_param& param, const char* filemap)
if (!input.good())
{
cout << "Failed to open file contaning MRC names: " << filemap << "\n";
exit(0);
exit(1);
}
char line[512] = {0};
......
......@@ -3,7 +3,10 @@
Copyright (C) 2016 Pilar Cossio, David Rohr, Fabio Baruffa, Markus Rampp,
Volker Lindenstruth and Gerhard Hummer.
Max Planck Institute of Biophysics, Frankfurt, Germany.
Frankfurt Institute for Advanced Studies, Goethe University Frankfurt, Germany.
Max Planck Computing and Data Facility, Garching, Germany.
Released under the GNU Public License, v3.
See license statement for terms of distribution.
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++*/
......@@ -51,7 +54,7 @@ int bioem_model::readModel(bioem_param& param, const char* filemodel)
if (!input.good())
{
cout << "PDB Failed to open file" << endl ; // pdbfilename << " ("<<filename<<")\n";
exit(0);
exit(1);
}
char line[512] = {0};
......@@ -272,7 +275,7 @@ myfloat_t bioem_model::getAminoAcidRad(char *name)
if(iaa == 0)
{
cout << "PROBLEM WITH AMINO ACID " << name << endl;
exit(0);
exit(1);
}
return iaa;
......@@ -307,7 +310,7 @@ myfloat_t bioem_model::getAminoAcidDensity(char *name)
if(iaa == 0.0)
{
cout << "PROBLEM WITH AMINO ACID " << name << endl;
exit(0);
exit(1);
}
return iaa;
}
......
......@@ -3,7 +3,10 @@
Copyright (C) 2016 Pilar Cossio, David Rohr, Fabio Baruffa, Markus Rampp,
Volker Lindenstruth and Gerhard Hummer.
Max Planck Institute of Biophysics, Frankfurt, Germany.
Frankfurt Institute for Advanced Studies, Goethe University Frankfurt, Germany.
Max Planck Computing and Data Facility, Garching, Germany.
Released under the GNU Public License, v3.
See license statement for terms of distribution.
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++*/
......@@ -67,7 +70,6 @@ int bioem_param::readParameters(const char* fileinput)
bool yesGPal = false;
bool yesGPbe = false;
bool yesMDC = false ;
bool notsquare =false;
bool yesBFact=false;
bool yesDefocus=false;
bool yesAMP=false;
......@@ -108,7 +110,7 @@ int bioem_param::readParameters(const char* fileinput)
if (!input.good())
{
cout << "Failed to open file: " << fileinput << "\n";
exit(0);
exit(1);
}
char line[512] = {0};
......@@ -517,7 +519,7 @@ int bioem_param::forprintBest(const char* fileinput)
if (!input.good())
{
cout << "Failed to open Best Parameter file: " << fileinput << "\n";
exit(0);
exit(1);
}
delete[] angles;
......
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