Task 38684930

Name test_926-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND8590_0
Workunit 31626428
Created 27 Oct 2026, 18:37:12 UTC
Sent 27 Oct 2026, 18:37:14 UTC
Report deadline 1 Nov 2026, 18:37:14 UTC
Received 27 Oct 2026, 20:56:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 496592
Run time 43 min 54 sec
CPU time 43 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,334.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 673.46 MB
Peak swap size 3.77 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
21:11:47 (18956): wrapper (7.9.26016): starting
21:11:47 (18956): 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
21:11:49 (18956): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:11:49 (18956): 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
21:55:50 (18956): C:/Windows/system32/cmd.exe exited; CPU time 2581.296875
21:55:50 (18956): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 36616433 bytes.
Dumping objects ->
{3835361} normal block at 0x0000026787E216B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835350} normal block at 0x0000026787E20F40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835339} normal block at 0x0000026787E20840, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835328} normal block at 0x0000026787E20E60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835317} normal block at 0x0000026787E20D10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835286} normal block at 0x0000026787ECCF90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x0000026787EA0050, 141 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) : {3835272} normal block at 0x00000267863F87E0, 8 bytes long.
 Data: <  &#204;&#135;g   > 00 00 CC 87 67 02 00 00 
{3834603} normal block at 0x0000026787E9F9D0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x00000267863F8EC0, 8 bytes long.
 Data: <&#208;&#232;&#226;&#135;g   > D0 E8 E2 87 67 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000026786403180, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000267863ED430, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000026786404D50, 16 bytes long.
 Data: <xR@&#134;g           > 78 52 40 86 67 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026786404850, 16 bytes long.
 Data: <PR@&#134;g           > 50 52 40 86 67 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000267863FDD20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000026786404800, 16 bytes long.
 Data: <(R@&#134;g           > 28 52 40 86 67 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026786404940, 16 bytes long.
 Data: < R@&#134;g           > 00 52 40 86 67 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026786404D00, 16 bytes long.
 Data: <&#216;Q@&#134;g           > D8 51 40 86 67 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000267864042B0, 16 bytes long.
 Data: <&#176;Q@&#134;g           > B0 51 40 86 67 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000267863FF1E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000026786404440, 16 bytes long.
 Data: <&#184;_>&#134;g           > B8 5F 3E 86 67 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000267863FD540, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000026786404260, 16 bytes long.
 Data: < _>&#134;g           > 90 5F 3E 86 67 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026786404BC0, 16 bytes long.
 Data: <h_>&#134;g           > 68 5F 3E 86 67 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000267864041C0, 16 bytes long.
 Data: <@_>&#134;g           > 40 5F 3E 86 67 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026786404B70, 16 bytes long.
 Data: < _>&#134;g           > 18 5F 3E 86 67 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026786404120, 16 bytes long.
 Data: <&#240;^>&#134;g           > F0 5E 3E 86 67 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026786404AD0, 16 bytes long.
 Data: <&#200;^>&#134;g           > C8 5E 3E 86 67 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000267863FD060, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000026786404670, 16 bytes long.
 Data: <&#160;^>&#134;g           > A0 5E 3E 86 67 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000267863E5EA0, 320 bytes long.
 Data: <pF@&#134;g   `&#208;?&#134;g   > 70 46 40 86 67 02 00 00 60 D0 3F 86 67 02 00 00 
{271} normal block at 0x00000267864040D0, 16 bytes long.
 Data: < Q@&#134;g           > 90 51 40 86 67 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026786404080, 16 bytes long.
 Data: <hQ@&#134;g           > 68 51 40 86 67 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000267863FD1E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000026786404580, 16 bytes long.
 Data: <@Q@&#134;g           > 40 51 40 86 67 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000267863FD4E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000026786404530, 16 bytes long.
 Data: < P@&#134;g           > 88 50 40 86 67 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026786404760, 16 bytes long.
 Data: <`P@&#134;g           > 60 50 40 86 67 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026786404030, 16 bytes long.
 Data: <8P@&#134;g           > 38 50 40 86 67 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026786404710, 16 bytes long.
 Data: < P@&#134;g           > 10 50 40 86 67 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026786404A30, 16 bytes long.
 Data: <&#232;O@&#134;g           > E8 4F 40 86 67 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026786403F90, 16 bytes long.
 Data: <&#192;O@&#134;g           > C0 4F 40 86 67 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026786404170, 16 bytes long.
 Data: <&#192;&#242;?&#134;g           > C0 F2 3F 86 67 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000267863FF2C0, 40 bytes long.
 Data: <pA@&#134;g    &#207;&#236;&#135;g   > 70 41 40 86 67 02 00 00 90 CF EC 87 67 02 00 00 
{257} normal block at 0x0000026786404300, 16 bytes long.
 Data: <&#160;O@&#134;g           > A0 4F 40 86 67 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000267864046C0, 16 bytes long.
 Data: <xO@&#134;g           > 78 4F 40 86 67 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000267863FD900, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000267864048F0, 16 bytes long.
 Data: <PO@&#134;g           > 50 4F 40 86 67 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000026786404F50, 992 bytes long.
 Data: <&#240;H@&#134;g    &#217;?&#134;g   > F0 48 40 86 67 02 00 00 00 D9 3F 86 67 02 00 00 
{89} normal block at 0x00000267863FD720, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000267863F8D80, 16 bytes long.
 Data: <0&#236;?&#134;g           > 30 EC 3F 86 67 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000267863FEC30, 40 bytes long.
 Data: <  ?&#134;g    &#215;?&#134;g   > 80 8D 3F 86 67 02 00 00 20 D7 3F 86 67 02 00 00 
{66} normal block at 0x00000267863F8150, 16 bytes long.
 Data: < &#234;&&#183;&#246;           > 80 EA 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000267863F8C90, 16 bytes long.
 Data: <@&#233;&&#183;&#246;           > 40 E9 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000267863F8790, 16 bytes long.
 Data: <&#248;W#&#183;&#246;           > F8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000267863F90A0, 16 bytes long.
 Data: <&#216;W#&#183;&#246;           > D8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000267863F9050, 16 bytes long.
 Data: <P #&#183;&#246;           > 50 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000267863F8DD0, 16 bytes long.
 Data: <0 #&#183;&#246;           > 30 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000267863F8E70, 16 bytes long.
 Data: <&#224; #&#183;&#246;           > E0 02 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000267863F8920, 16 bytes long.
 Data: <  #&#183;&#246;           > 10 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000267863F8CE0, 16 bytes long.
 Data: <p #&#183;&#246;           > 70 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000267863F86A0, 16 bytes long.
 Data: < &#192;!&#183;&#246;           > 18 C0 21 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra