Task 38653041

Name test_539-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND8757_0
Workunit 31597076
Created 24 Oct 2026, 4:56:34 UTC
Sent 24 Oct 2026, 5:05:25 UTC
Report deadline 29 Oct 2026, 5:05:25 UTC
Received 24 Oct 2026, 6:23:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 441672
Run time 1 hours 15 min 47 sec
CPU time 1 hours 14 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,258.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 702.88 MB
Peak swap size 6.71 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:08:07 (23928): wrapper (7.9.26016): starting
22:08:07 (23928): 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
22:08:08 (23928): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:08:08 (23928): 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\1\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\1\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
23:23:09 (23928): C:/Windows/system32/cmd.exe exited; CPU time 4471.625000
23:23:09 (23928): called boinc_finish(0)
0 bytes in 0 Free Blocks.
646 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: 79666713 bytes.
Dumping objects ->
{3835633} normal block at 0x00000212E9DD9090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835622} normal block at 0x00000212E9DD8840, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835611} normal block at 0x00000212E9DD9480, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835600} normal block at 0x00000212E80469E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835589} normal block at 0x00000212E8046970, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835558} normal block at 0x00000212E9D8CFD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x00000212E80B2960, 195 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) : {3835544} normal block at 0x00000212E803F0E0, 8 bytes long.
 Data: <  H&#232;    > 00 00 48 E8 12 02 00 00 
{3834742} normal block at 0x00000212E80B2360, 195 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x00000212E803EBE0, 8 bytes long.
 Data: <p_&#222;&#233;    > 70 5F DE E9 12 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000212E80438B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000212E8038160, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000212E80474B0, 16 bytes long.
 Data: < &#133; &#232;            > 88 85 04 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000212E80470F0, 16 bytes long.
 Data: <`&#133; &#232;            > 60 85 04 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000212E8041920, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000212E8047B90, 16 bytes long.
 Data: <8&#133; &#232;            > 38 85 04 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000212E8047460, 16 bytes long.
 Data: < &#133; &#232;            > 10 85 04 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000212E8048040, 16 bytes long.
 Data: <&#232;&#132; &#232;            > E8 84 04 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000212E8047FF0, 16 bytes long.
 Data: <&#192;&#132; &#232;            > C0 84 04 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000212E8046B30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000212E8047E60, 16 bytes long.
 Data: <h&#190; &#232;            > 68 BE 02 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000212E8041440, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000212E8047B40, 16 bytes long.
 Data: <@&#190; &#232;            > 40 BE 02 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000212E8047230, 16 bytes long.
 Data: < &#190; &#232;            > 18 BE 02 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000212E8047E10, 16 bytes long.
 Data: <&#240;&#189; &#232;            > F0 BD 02 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000212E8047AF0, 16 bytes long.
 Data: <&#200;&#189; &#232;            > C8 BD 02 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000212E8047550, 16 bytes long.
 Data: <&#160;&#189; &#232;            > A0 BD 02 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000212E80472D0, 16 bytes long.
 Data: <x&#189; &#232;            > 78 BD 02 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000212E8041860, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000212E8047C30, 16 bytes long.
 Data: <P&#189; &#232;            > 50 BD 02 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000212E802BD50, 320 bytes long.
 Data: <0| &#232;    `  &#232;    > 30 7C 04 E8 12 02 00 00 60 18 04 E8 12 02 00 00 
{279} normal block at 0x00000212E8047F00, 16 bytes long.
 Data: <&#160;&#132; &#232;            > A0 84 04 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000212E8047DC0, 16 bytes long.
 Data: <x&#132; &#232;            > 78 84 04 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000212E8041C20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000212E8047A00, 16 bytes long.
 Data: <P&#132; &#232;            > 50 84 04 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000212E80418C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000212E80476E0, 16 bytes long.
 Data: < &#131; &#232;            > 98 83 04 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000212E80479B0, 16 bytes long.
 Data: <p&#131; &#232;            > 70 83 04 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000212E80473C0, 16 bytes long.
 Data: <H&#131; &#232;            > 48 83 04 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000212E8047A50, 16 bytes long.
 Data: < &#131; &#232;            > 20 83 04 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000212E8047410, 16 bytes long.
 Data: <&#248;&#130; &#232;            > F8 82 04 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000212E8047910, 16 bytes long.
 Data: <&#208;&#130; &#232;            > D0 82 04 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000212E8047780, 16 bytes long.
 Data: <&#192;j &#232;            > C0 6A 04 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000212E8046AC0, 40 bytes long.
 Data: < w &#232;    &#208;&#207;&#216;&#233;    > 80 77 04 E8 12 02 00 00 D0 CF D8 E9 12 02 00 00 
{265} normal block at 0x00000212E80471E0, 16 bytes long.
 Data: <&#176;&#130; &#232;            > B0 82 04 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000212E8047370, 16 bytes long.
 Data: < &#130; &#232;            > 88 82 04 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000212E8041500, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000212E80478C0, 16 bytes long.
 Data: <`&#130; &#232;            > 60 82 04 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000212E8048260, 992 bytes long.
 Data: <&#192;x &#232;       &#232;    > C0 78 04 E8 12 02 00 00 00 15 04 E8 12 02 00 00 
{97} normal block at 0x00000212E80415C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000212E803F590, 16 bytes long.
 Data: <Pj &#232;            > 50 6A 04 E8 12 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000212E8046A50, 40 bytes long.
 Data: < &#245; &#232;    &#192;  &#232;    > 90 F5 03 E8 12 02 00 00 C0 15 04 E8 12 02 00 00 
{74} normal block at 0x00000212E803F6D0, 16 bytes long.
 Data: < &#234;B &#247;           > 80 EA 42 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000212E803F180, 16 bytes long.
 Data: <@&#233;B &#247;           > 40 E9 42 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000212E803EFA0, 16 bytes long.
 Data: <&#248;W? &#247;           > F8 57 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000212E803F860, 16 bytes long.
 Data: <&#216;W? &#247;           > D8 57 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000212E803F220, 16 bytes long.
 Data: <P ? &#247;           > 50 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000212E803ED70, 16 bytes long.
 Data: <0 ? &#247;           > 30 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000212E803F040, 16 bytes long.
 Data: <&#224; ? &#247;           > E0 02 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000212E803F3B0, 16 bytes long.
 Data: <  ? &#247;           > 10 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000212E803F4A0, 16 bytes long.
 Data: <p ? &#247;           > 70 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000212E803F130, 16 bytes long.
 Data: < &#192;= &#247;           > 18 C0 3D 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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