Task 38682562

Name test_742-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND8535_0
Workunit 31624167
Created 27 Oct 2026, 8:13:52 UTC
Sent 27 Oct 2026, 8:14:03 UTC
Report deadline 1 Nov 2026, 8:14:03 UTC
Received 27 Oct 2026, 9:45:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623758
Run time 30 min 20 sec
CPU time 28 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.38 MB
Peak swap size 6.91 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:16:48 (7380): wrapper (7.9.26016): starting
04:16:48 (7380): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
04:16:50 (7380): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:16:50 (7380): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
04:45:31 (7380): C:/Windows/system32/cmd.exe exited; CPU time 1690.640625
04:45:31 (7380): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 21635865 bytes.
Dumping objects ->
{3835234} normal block at 0x0000027BED0CD8F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000027BEB405E30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000027BEB405C00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x0000027BEB406060, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000027BEB405FF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x0000027BED11A5F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x0000027BED12F680, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835145} normal block at 0x0000027BEB3FF820, 8 bytes long.
 Data: <  &#142;&#235;{   > 00 00 8E EB 7B 02 00 00 
{3834542} normal block at 0x0000027BED12F9F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000027BEB3FF7D0, 8 bytes long.
 Data: <&#160;7 &#237;{   > A0 37 1A ED 7B 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000027BEB401C00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027BEB3F6F30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000027BEB406F80, 16 bytes long.
 Data: <Xt@&#235;{           > 58 74 40 EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027BEB4069E0, 16 bytes long.
 Data: <0t@&#235;{           > 30 74 40 EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027BEB400C70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000027BEB406670, 16 bytes long.
 Data: < t@&#235;{           > 08 74 40 EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027BEB406940, 16 bytes long.
 Data: <&#224;s@&#235;{           > E0 73 40 EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027BEB406DA0, 16 bytes long.
 Data: <&#184;s@&#235;{           > B8 73 40 EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027BEB4063A0, 16 bytes long.
 Data: < s@&#235;{           > 90 73 40 EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027BEB405C70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000027BEB406A30, 16 bytes long.
 Data: <&#168;&#244;?&#235;{           > A8 F4 3F EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027BEB400670, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000027BEB406C10, 16 bytes long.
 Data: < &#244;?&#235;{           > 80 F4 3F EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027BEB4061C0, 16 bytes long.
 Data: <X&#244;?&#235;{           > 58 F4 3F EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027BEB4067B0, 16 bytes long.
 Data: <0&#244;?&#235;{           > 30 F4 3F EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027BEB406300, 16 bytes long.
 Data: < &#244;?&#235;{           > 08 F4 3F EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027BEB4062B0, 16 bytes long.
 Data: <&#224;&#243;?&#235;{           > E0 F3 3F EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027BEB406170, 16 bytes long.
 Data: <&#184;&#243;?&#235;{           > B8 F3 3F EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027BEB4005B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000027BEB406F30, 16 bytes long.
 Data: < &#243;?&#235;{           > 90 F3 3F EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027BEB3FF390, 320 bytes long.
 Data: <0o@&#235;{   &#176; @&#235;{   > 30 6F 40 EB 7B 02 00 00 B0 05 40 EB 7B 02 00 00 
{276} normal block at 0x0000027BEB4065D0, 16 bytes long.
 Data: <ps@&#235;{           > 70 73 40 EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027BEB407070, 16 bytes long.
 Data: <Hs@&#235;{           > 48 73 40 EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027BEB400DF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000027BEB406440, 16 bytes long.
 Data: < s@&#235;{           > 20 73 40 EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027BEB4014B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000027BEB406760, 16 bytes long.
 Data: <hr@&#235;{           > 68 72 40 EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027BEB406260, 16 bytes long.
 Data: <@r@&#235;{           > 40 72 40 EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027BEB406210, 16 bytes long.
 Data: < r@&#235;{           > 18 72 40 EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027BEB4070C0, 16 bytes long.
 Data: <&#240;q@&#235;{           > F0 71 40 EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027BEB407020, 16 bytes long.
 Data: <&#200;q@&#235;{           > C8 71 40 EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027BEB406EE0, 16 bytes long.
 Data: <&#160;q@&#235;{           > A0 71 40 EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027BEB406D00, 16 bytes long.
 Data: <`Y@&#235;{           > 60 59 40 EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027BEB405960, 40 bytes long.
 Data: < m@&#235;{   &#240;&#165; &#237;{   > 00 6D 40 EB 7B 02 00 00 F0 A5 11 ED 7B 02 00 00 
{262} normal block at 0x0000027BEB406350, 16 bytes long.
 Data: < q@&#235;{           > 80 71 40 EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027BEB406620, 16 bytes long.
 Data: <Xq@&#235;{           > 58 71 40 EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027BEB400D30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000027BEB406D50, 16 bytes long.
 Data: <0q@&#235;{           > 30 71 40 EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027BEB407130, 992 bytes long.
 Data: <Pm@&#235;{   0 @&#235;{   > 50 6D 40 EB 7B 02 00 00 30 0D 40 EB 7B 02 00 00 
{94} normal block at 0x0000027BEB400AF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000027BEB3FF640, 16 bytes long.
 Data: <&#192;&#229;>&#235;{           > C0 E5 3E EB 7B 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000027BEB3EE5C0, 40 bytes long.
 Data: <@&#246;?&#235;{   &#240; @&#235;{   > 40 F6 3F EB 7B 02 00 00 F0 0A 40 EB 7B 02 00 00 
{71} normal block at 0x0000027BEB3FFFA0, 16 bytes long.
 Data: < &#234;} &#247;           > 80 EA 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027BEB4004F0, 16 bytes long.
 Data: <@&#233;} &#247;           > 40 E9 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027BEB3FF6E0, 16 bytes long.
 Data: <&#248;Wz &#247;           > F8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027BEB3FF690, 16 bytes long.
 Data: <&#216;Wz &#247;           > D8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027BEB3FFB90, 16 bytes long.
 Data: <P z &#247;           > 50 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027BEB3FF780, 16 bytes long.
 Data: <0 z &#247;           > 30 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027BEB3FF870, 16 bytes long.
 Data: <&#224; z &#247;           > E0 02 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027BEB3FFCD0, 16 bytes long.
 Data: <  z &#247;           > 10 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027BEB3FFBE0, 16 bytes long.
 Data: <p z &#247;           > 70 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027BEB3FFEB0, 16 bytes long.
 Data: < &#192;x &#247;           > 18 C0 78 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra