Task 38688955

Name test_920-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND1622_1
Workunit 31630225
Created 28 Oct 2026, 17:12:29 UTC
Sent 28 Oct 2026, 17:12:34 UTC
Report deadline 2 Nov 2026, 17:12:34 UTC
Received 28 Oct 2026, 17:37:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590858
Run time 23 min 4 sec
CPU time 22 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,266.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.93 MB
Peak swap size 3.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
18:13:48 (1780): wrapper (7.9.26016): starting
18:13:48 (1780): 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
18:13:49 (1780): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:13:49 (1780): 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
18:36:27 (1780): C:/Windows/system32/cmd.exe exited; CPU time 1330.625000
18:36:27 (1780): 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: 22917391 bytes.
Dumping objects ->
{3835503} normal block at 0x00000179E5194460, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835492} normal block at 0x00000179E51943F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x00000179E5194380, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835470} normal block at 0x00000179E5193D60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835459} normal block at 0x00000179E35759A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835428} normal block at 0x00000179E510A510, 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) : {3835415} normal block at 0x00000179E356DAF0, 8 bytes long.
 Data: <  M&#227;y   > 00 00 4D E3 79 01 00 00 
{3833963} normal block at 0x00000179E356E040, 8 bytes long.
 Data: < &#234;&#252;&#228;y   > 90 EA FC E4 79 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000179E3572760, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000179E35662E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000179E3576CB0, 16 bytes long.
 Data: <&#184;sW&#227;y           > B8 73 57 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000179E3576C10, 16 bytes long.
 Data: < sW&#227;y           > 90 73 57 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000179E3570490, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000179E3576710, 16 bytes long.
 Data: <hsW&#227;y           > 68 73 57 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000179E3576AD0, 16 bytes long.
 Data: <@sW&#227;y           > 40 73 57 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000179E35769E0, 16 bytes long.
 Data: < sW&#227;y           > 18 73 57 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000179E3576E40, 16 bytes long.
 Data: <&#240;rW&#227;y           > F0 72 57 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000179E3575CB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000179E35763F0, 16 bytes long.
 Data: <X V&#227;y           > 58 98 56 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000179E356FA10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000179E35766C0, 16 bytes long.
 Data: <0 V&#227;y           > 30 98 56 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000179E3576990, 16 bytes long.
 Data: <  V&#227;y           > 08 98 56 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000179E35768A0, 16 bytes long.
 Data: <&#224;&#151;V&#227;y           > E0 97 56 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000179E3576DA0, 16 bytes long.
 Data: <&#184;&#151;V&#227;y           > B8 97 56 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000179E3576BC0, 16 bytes long.
 Data: < &#151;V&#227;y           > 90 97 56 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000179E35767B0, 16 bytes long.
 Data: <h&#151;V&#227;y           > 68 97 56 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000179E3570790, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000179E3576580, 16 bytes long.
 Data: <@&#151;V&#227;y           > 40 97 56 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000179E3569740, 320 bytes long.
 Data: < eW&#227;y     W&#227;y   > 80 65 57 E3 79 01 00 00 90 07 57 E3 79 01 00 00 
{277} normal block at 0x00000179E3576D50, 16 bytes long.
 Data: <&#208;rW&#227;y           > D0 72 57 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000179E3576A30, 16 bytes long.
 Data: <&#168;rW&#227;y           > A8 72 57 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000179E3570250, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000179E3576C60, 16 bytes long.
 Data: < rW&#227;y           > 80 72 57 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000179E356F950, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000179E3576B70, 16 bytes long.
 Data: <&#200;qW&#227;y           > C8 71 57 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000179E3576B20, 16 bytes long.
 Data: <&#160;qW&#227;y           > A0 71 57 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000179E3576670, 16 bytes long.
 Data: <xqW&#227;y           > 78 71 57 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000179E3576760, 16 bytes long.
 Data: <PqW&#227;y           > 50 71 57 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000179E35765D0, 16 bytes long.
 Data: <(qW&#227;y           > 28 71 57 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000179E3576530, 16 bytes long.
 Data: < qW&#227;y           > 00 71 57 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000179E3576A80, 16 bytes long.
 Data: < ZW&#227;y           > 80 5A 57 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000179E3575A80, 40 bytes long.
 Data: < jW&#227;y    &#165; &#229;y   > 80 6A 57 E3 79 01 00 00 10 A5 10 E5 79 01 00 00 
{263} normal block at 0x00000179E35768F0, 16 bytes long.
 Data: <&#224;pW&#227;y           > E0 70 57 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000179E3576800, 16 bytes long.
 Data: <&#184;pW&#227;y           > B8 70 57 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000179E3570670, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000179E3576940, 16 bytes long.
 Data: < pW&#227;y           > 90 70 57 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000179E3577090, 992 bytes long.
 Data: <@iW&#227;y   p W&#227;y   > 40 69 57 E3 79 01 00 00 70 06 57 E3 79 01 00 00 
{95} normal block at 0x00000179E3570730, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000179E356DF50, 16 bytes long.
 Data: <&#224;^W&#227;y           > E0 5E 57 E3 79 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000179E3575EE0, 40 bytes long.
 Data: <P&#223;V&#227;y   0 W&#227;y   > 50 DF 56 E3 79 01 00 00 30 07 57 E3 79 01 00 00 
{72} normal block at 0x00000179E356DB90, 16 bytes long.
 Data: < &#234; p&#247;           > 80 EA 20 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000179E356E810, 16 bytes long.
 Data: <@&#233; p&#247;           > 40 E9 20 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000179E356DFF0, 16 bytes long.
 Data: <&#248;W p&#247;           > F8 57 1D 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000179E356DFA0, 16 bytes long.
 Data: <&#216;W p&#247;           > D8 57 1D 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000179E356E720, 16 bytes long.
 Data: <P  p&#247;           > 50 04 1D 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000179E356DCD0, 16 bytes long.
 Data: <0  p&#247;           > 30 04 1D 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000179E356DF00, 16 bytes long.
 Data: <&#224;  p&#247;           > E0 02 1D 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000179E356E6D0, 16 bytes long.
 Data: <   p&#247;           > 10 04 1D 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000179E356E2C0, 16 bytes long.
 Data: <p  p&#247;           > 70 04 1D 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000179E356E270, 16 bytes long.
 Data: < &#192; p&#247;           > 18 C0 1B 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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