Task 38673478

Name test_656-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND4589_0
Workunit 31615551
Created 26 Oct 2026, 2:31:28 UTC
Sent 26 Oct 2026, 2:31:33 UTC
Report deadline 31 Oct 2026, 2:31:33 UTC
Received 26 Oct 2026, 3:55:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654060
Run time 27 min 45 sec
CPU time 25 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.28 MB
Peak swap size 8.41 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:28:36 (26504): wrapper (7.9.26016): starting
22:28:36 (26504): 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
22:28:37 (26504): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:28:37 (26504): 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
22:55:17 (26504): C:/Windows/system32/cmd.exe exited; CPU time 1546.406250
22:55:17 (26504): 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: 41648949 bytes.
Dumping objects ->
{3835258} normal block at 0x00000177E8E0D8C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x00000177E71848F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000177E7184880, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x00000177E7184730, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x00000177E7184C70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x00000177E8E540B0, 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) : {3835170} normal block at 0x00000177E717E790, 8 bytes long.
 Data: <  r&#231;w   > 00 00 72 E7 77 01 00 00 
{3833959} normal block at 0x00000177E717EB50, 8 bytes long.
 Data: <&#192;M&#235;&#232;w   > C0 4D EB E8 77 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000177E7180800, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000177E7176310, 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 0x00000177E71857C0, 16 bytes long.
 Data: <xV &#231;w           > 78 56 18 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000177E7186710, 16 bytes long.
 Data: <PV &#231;w           > 50 56 18 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000177E717FDD0, 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 0x00000177E7185FE0, 16 bytes long.
 Data: <(V &#231;w           > 28 56 18 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000177E7185E00, 16 bytes long.
 Data: < V &#231;w           > 00 56 18 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000177E7185EA0, 16 bytes long.
 Data: <&#216;U &#231;w           > D8 55 18 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000177E7185B80, 16 bytes long.
 Data: <&#176;U &#231;w           > B0 55 18 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000177E7184A40, 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 0x00000177E7185E50, 16 bytes long.
 Data: <h  &#231;w           > 68 8F 17 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000177E717FCB0, 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 0x00000177E7185810, 16 bytes long.
 Data: <@  &#231;w           > 40 8F 17 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000177E7186670, 16 bytes long.
 Data: <   &#231;w           > 18 8F 17 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000177E7186580, 16 bytes long.
 Data: <&#240;&#142; &#231;w           > F0 8E 17 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000177E7185F90, 16 bytes long.
 Data: <&#200;&#142; &#231;w           > C8 8E 17 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000177E71866C0, 16 bytes long.
 Data: <&#160;&#142; &#231;w           > A0 8E 17 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000177E71861C0, 16 bytes long.
 Data: <x&#142; &#231;w           > 78 8E 17 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000177E71805B0, 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 0x00000177E7185BD0, 16 bytes long.
 Data: <P&#142; &#231;w           > 50 8E 17 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000177E7178E50, 320 bytes long.
 Data: <&#208;[ &#231;w   &#176;  &#231;w   > D0 5B 18 E7 77 01 00 00 B0 05 18 E7 77 01 00 00 
{275} normal block at 0x00000177E7186530, 16 bytes long.
 Data: < U &#231;w           > 90 55 18 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000177E7185A40, 16 bytes long.
 Data: <hU &#231;w           > 68 55 18 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000177E717FB90, 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 0x00000177E7186620, 16 bytes long.
 Data: <@U &#231;w           > 40 55 18 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000177E717FEF0, 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 0x00000177E7185900, 16 bytes long.
 Data: < T &#231;w           > 88 54 18 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000177E71864E0, 16 bytes long.
 Data: <`T &#231;w           > 60 54 18 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000177E71863F0, 16 bytes long.
 Data: <8T &#231;w           > 38 54 18 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000177E7185F40, 16 bytes long.
 Data: < T &#231;w           > 10 54 18 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000177E71865D0, 16 bytes long.
 Data: <&#232;S &#231;w           > E8 53 18 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000177E717F3C0, 16 bytes long.
 Data: <&#192;S &#231;w           > C0 53 18 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000177E717F370, 16 bytes long.
 Data: <&#208;I &#231;w           > D0 49 18 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000177E71849D0, 40 bytes long.
 Data: <p&#243; &#231;w   &#176;@&#229;&#232;w   > 70 F3 17 E7 77 01 00 00 B0 40 E5 E8 77 01 00 00 
{261} normal block at 0x00000177E717F320, 16 bytes long.
 Data: <&#160;S &#231;w           > A0 53 18 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000177E717EBA0, 16 bytes long.
 Data: <xS &#231;w           > 78 53 18 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000177E7180490, 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 0x00000177E717F190, 16 bytes long.
 Data: <PS &#231;w           > 50 53 18 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000177E7185350, 992 bytes long.
 Data: < &#241; &#231;w      &#231;w   > 90 F1 17 E7 77 01 00 00 90 04 18 E7 77 01 00 00 
{93} normal block at 0x00000177E717FFB0, 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 0x00000177E717EA60, 16 bytes long.
 Data: <&#224;&#233; &#231;w           > E0 E9 16 E7 77 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000177E716E9E0, 40 bytes long.
 Data: <`&#234; &#231;w   &#176;&#255; &#231;w   > 60 EA 17 E7 77 01 00 00 B0 FF 17 E7 77 01 00 00 
{70} normal block at 0x00000177E717EC90, 16 bytes long.
 Data: < &#234;&#164;Q&#246;           > 80 EA A4 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000177E717EF10, 16 bytes long.
 Data: <@&#233;&#164;Q&#246;           > 40 E9 A4 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000177E717E880, 16 bytes long.
 Data: <&#248;W&#161;Q&#246;           > F8 57 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000177E717F5A0, 16 bytes long.
 Data: <&#216;W&#161;Q&#246;           > D8 57 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000177E717F050, 16 bytes long.
 Data: <P &#161;Q&#246;           > 50 04 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000177E717EBF0, 16 bytes long.
 Data: <0 &#161;Q&#246;           > 30 04 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000177E717E740, 16 bytes long.
 Data: <&#224; &#161;Q&#246;           > E0 02 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000177E717EC40, 16 bytes long.
 Data: <  &#161;Q&#246;           > 10 04 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000177E717F5F0, 16 bytes long.
 Data: <p &#161;Q&#246;           > 70 04 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000177E717F230, 16 bytes long.
 Data: < &#192;&#159;Q&#246;           > 18 C0 9F 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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