Task 38653009

Name test_423-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND7893_0
Workunit 31597049
Created 24 Oct 2026, 4:53:38 UTC
Sent 24 Oct 2026, 5:02:39 UTC
Report deadline 29 Oct 2026, 5:02:39 UTC
Received 24 Oct 2026, 6:11:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642350
Run time 29 min 41 sec
CPU time 27 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,408.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.73 MB
Peak swap size 9.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:42:59 (374664): wrapper (7.9.26016): starting
00:42:59 (374664): 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
00:43:00 (374664): Library/usr/bin/tar.exe exited; CPU time 0.078125
00:43:00 (374664): 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
01:11:25 (374664): C:/Windows/system32/cmd.exe exited; CPU time 1669.875000
01:11:25 (374664): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 37541463 bytes.
Dumping objects ->
{3835248} normal block at 0x000001AAB7D23BA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x000001AAB7D23890, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000001AAB7D23580, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x000001AAB7D23AC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x000001AAB7D23820, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x000001AAB9BCB980, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835160} normal block at 0x000001AAB7CFE020, 8 bytes long.
 Data: <  &#134;&#185;&#170;   > 00 00 86 B9 AA 01 00 00 
{3833959} normal block at 0x000001AAB7CFD530, 8 bytes long.
 Data: <&#160;Z&#213;&#183;&#170;   > A0 5A D5 B7 AA 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001AAB7CDB3A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001AAB7CDCC30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001AAB7CFDB70, 16 bytes long.
 Data: < c&#207;&#183;&#170;           > 98 63 CF B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001AAB7CFDA80, 16 bytes long.
 Data: <pc&#207;&#183;&#170;           > 70 63 CF B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001AAB7CFEAA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001AAB7CFDEE0, 16 bytes long.
 Data: <Hc&#207;&#183;&#170;           > 48 63 CF B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AAB7CFD580, 16 bytes long.
 Data: < c&#207;&#183;&#170;           > 20 63 CF B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AAB7CFD4E0, 16 bytes long.
 Data: <&#248;b&#207;&#183;&#170;           > F8 62 CF B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AAB7CFD9E0, 16 bytes long.
 Data: <&#208;b&#207;&#183;&#170;           > D0 62 CF B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001AAB7CF5D80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001AAB7CFDDA0, 16 bytes long.
 Data: <&#232;&#229;&#204;&#183;&#170;           > E8 E5 CC B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AAB7CFE620, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001AAB7CFD8F0, 16 bytes long.
 Data: <&#192;&#229;&#204;&#183;&#170;           > C0 E5 CC B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AAB7CFD850, 16 bytes long.
 Data: < &#229;&#204;&#183;&#170;           > 98 E5 CC B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AAB7CFD800, 16 bytes long.
 Data: <p&#229;&#204;&#183;&#170;           > 70 E5 CC B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AAB7CFDE40, 16 bytes long.
 Data: <H&#229;&#204;&#183;&#170;           > 48 E5 CC B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AAB7CFD670, 16 bytes long.
 Data: < &#229;&#204;&#183;&#170;           > 20 E5 CC B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AAB7CFD7B0, 16 bytes long.
 Data: <&#248;&#228;&#204;&#183;&#170;           > F8 E4 CC B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AAB7CFEDA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001AAB7CFD490, 16 bytes long.
 Data: <&#208;&#228;&#204;&#183;&#170;           > D0 E4 CC B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AAB7CCE4D0, 320 bytes long.
 Data: < &#212;&#207;&#183;&#170;   &#160;&#237;&#207;&#183;&#170;   > 90 D4 CF B7 AA 01 00 00 A0 ED CF B7 AA 01 00 00 
{275} normal block at 0x000001AAB7CFD300, 16 bytes long.
 Data: <&#176;b&#207;&#183;&#170;           > B0 62 CF B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AAB7CFD2B0, 16 bytes long.
 Data: < b&#207;&#183;&#170;           > 88 62 CF B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AAB7CFEF80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001AAB7CFD260, 16 bytes long.
 Data: <`b&#207;&#183;&#170;           > 60 62 CF B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AAB7CFE6E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001AAB7CFD710, 16 bytes long.
 Data: <&#168;a&#207;&#183;&#170;           > A8 61 CF B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AAB7CFDD50, 16 bytes long.
 Data: < a&#207;&#183;&#170;           > 80 61 CF B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AAB7CFDD00, 16 bytes long.
 Data: <Xa&#207;&#183;&#170;           > 58 61 CF B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AAB7CFD990, 16 bytes long.
 Data: <0a&#207;&#183;&#170;           > 30 61 CF B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AAB7CFDDF0, 16 bytes long.
 Data: < a&#207;&#183;&#170;           > 08 61 CF B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AAB7CFD210, 16 bytes long.
 Data: <&#224;`&#207;&#183;&#170;           > E0 60 CF B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AAB7CFD6C0, 16 bytes long.
 Data: < Z&#207;&#183;&#170;           > 00 5A CF B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AAB7CF5A00, 40 bytes long.
 Data: <&#192;&#214;&#207;&#183;&#170;    &#185;&#188;&#185;&#170;   > C0 D6 CF B7 AA 01 00 00 80 B9 BC B9 AA 01 00 00 
{261} normal block at 0x000001AAB7CFD120, 16 bytes long.
 Data: <&#192;`&#207;&#183;&#170;           > C0 60 CF B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AAB7CFD940, 16 bytes long.
 Data: < `&#207;&#183;&#170;           > 98 60 CF B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001AAB7CE3500, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001AAB7CFDAD0, 16 bytes long.
 Data: <p`&#207;&#183;&#170;           > 70 60 CF B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001AAB7CF6070, 992 bytes long.
 Data: <&#208;&#218;&#207;&#183;&#170;    5&#206;&#183;&#170;   > D0 DA CF B7 AA 01 00 00 00 35 CE B7 AA 01 00 00 
{93} normal block at 0x000001AAB7CE3020, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001AAB7CE8EF0, 16 bytes long.
 Data: <&#160;\&#207;&#183;&#170;           > A0 5C CF B7 AA 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001AAB7CF5CA0, 40 bytes long.
 Data: <&#240;&#142;&#206;&#183;&#170;    0&#206;&#183;&#170;   > F0 8E CE B7 AA 01 00 00 20 30 CE B7 AA 01 00 00 
{70} normal block at 0x000001AAB7CE8E50, 16 bytes long.
 Data: < &#234;&#255;&#154;&#246;           > 80 EA FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001AAB7CE9CB0, 16 bytes long.
 Data: <@&#233;&#255;&#154;&#246;           > 40 E9 FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001AAB7CE99E0, 16 bytes long.
 Data: <&#248;W&#252;&#154;&#246;           > F8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001AAB7CE9990, 16 bytes long.
 Data: <&#216;W&#252;&#154;&#246;           > D8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AAB7CE9940, 16 bytes long.
 Data: <P &#252;&#154;&#246;           > 50 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AAB7CE8E00, 16 bytes long.
 Data: <0 &#252;&#154;&#246;           > 30 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AAB7CE98F0, 16 bytes long.
 Data: <&#224; &#252;&#154;&#246;           > E0 02 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AAB7CE9C10, 16 bytes long.
 Data: <  &#252;&#154;&#246;           > 10 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AAB7CE94E0, 16 bytes long.
 Data: <p &#252;&#154;&#246;           > 70 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001AAB7CE9300, 16 bytes long.
 Data: < &#192;&#250;&#154;&#246;           > 18 C0 FA 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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