Task 38671402

Name test_233-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND2425_0
Workunit 31613608
Created 25 Oct 2026, 20:25:04 UTC
Sent 25 Oct 2026, 20:25:08 UTC
Report deadline 30 Oct 2026, 20:25:08 UTC
Received 25 Oct 2026, 20:54:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654060
Run time 27 min 35 sec
CPU time 25 min 45 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 728.00 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:27:22 (53168): wrapper (7.9.26016): starting
15:27:22 (53168): 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
15:27:23 (53168): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:27:23 (53168): 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
15:54:03 (53168): C:/Windows/system32/cmd.exe exited; CPU time 1545.500000
15:54:03 (53168): 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: 42627031 bytes.
Dumping objects ->
{3835258} normal block at 0x0000023B490C92C0, 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 0x0000023B47365830, 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 0x0000023B47365600, 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 0x0000023B473657C0, 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 0x0000023B47365590, 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 0x0000023B490DB630, 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 0x0000023B4735FE60, 8 bytes long.
 Data: <  2G;   > 00 00 32 47 3B 02 00 00 
{3833959} normal block at 0x0000023B4735FB40, 8 bytes long.
 Data: < S I;   > 10 53 13 49 3B 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000023B47361B10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023B4734F450, 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 0x0000023B473666A0, 16 bytes long.
 Data: <Ha6G;           > 48 61 36 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023B47366650, 16 bytes long.
 Data: < a6G;           > 20 61 36 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023B47361000, 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 0x0000023B47367050, 16 bytes long.
 Data: <&#248;`6G;           > F8 60 36 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023B47366600, 16 bytes long.
 Data: <&#208;`6G;           > D0 60 36 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023B47366E20, 16 bytes long.
 Data: <&#168;`6G;           > A8 60 36 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023B47366380, 16 bytes long.
 Data: < `6G;           > 80 60 36 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023B47365750, 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 0x0000023B47367000, 16 bytes long.
 Data: < &#240;5G;           > 18 F0 35 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023B47360E20, 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 0x0000023B47366F60, 16 bytes long.
 Data: <&#240;&#239;5G;           > F0 EF 35 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023B47366B00, 16 bytes long.
 Data: <&#200;&#239;5G;           > C8 EF 35 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023B47366880, 16 bytes long.
 Data: <&#160;&#239;5G;           > A0 EF 35 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023B47366F10, 16 bytes long.
 Data: <x&#239;5G;           > 78 EF 35 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023B47367140, 16 bytes long.
 Data: <P&#239;5G;           > 50 EF 35 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023B47366510, 16 bytes long.
 Data: <(&#239;5G;           > 28 EF 35 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023B47360DC0, 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 0x0000023B47366BA0, 16 bytes long.
 Data: < &#239;5G;           > 00 EF 35 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023B4735EF00, 320 bytes long.
 Data: <&#160;k6G;   &#192; 6G;   > A0 6B 36 47 3B 02 00 00 C0 0D 36 47 3B 02 00 00 
{275} normal block at 0x0000023B47367190, 16 bytes long.
 Data: <``6G;           > 60 60 36 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023B47366830, 16 bytes long.
 Data: <8`6G;           > 38 60 36 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023B47360340, 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 0x0000023B47366A60, 16 bytes long.
 Data: < `6G;           > 10 60 36 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023B47360E80, 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 0x0000023B47366A10, 16 bytes long.
 Data: <X_6G;           > 58 5F 36 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023B473664C0, 16 bytes long.
 Data: <0_6G;           > 30 5F 36 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023B47366330, 16 bytes long.
 Data: < _6G;           > 08 5F 36 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023B47366AB0, 16 bytes long.
 Data: <&#224;^6G;           > E0 5E 36 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023B47366FB0, 16 bytes long.
 Data: <&#184;^6G;           > B8 5E 36 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023B4735F690, 16 bytes long.
 Data: < ^6G;           > 90 5E 36 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023B4735F460, 16 bytes long.
 Data: <&#224;V6G;           > E0 56 36 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023B473656E0, 40 bytes long.
 Data: <`&#244;5G;   0&#182; I;   > 60 F4 35 47 3B 02 00 00 30 B6 0D 49 3B 02 00 00 
{261} normal block at 0x0000023B4735F280, 16 bytes long.
 Data: <p^6G;           > 70 5E 36 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023B4735FEB0, 16 bytes long.
 Data: <H^6G;           > 48 5E 36 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023B47360460, 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 0x0000023B4735FE10, 16 bytes long.
 Data: < ^6G;           > 20 5E 36 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000023B47365E20, 992 bytes long.
 Data: < &#254;5G;   ` 6G;   > 10 FE 35 47 3B 02 00 00 60 04 36 47 3B 02 00 00 
{93} normal block at 0x0000023B473605E0, 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 0x0000023B4735F5A0, 16 bytes long.
 Data: < &#224;4G;           > 20 E0 34 47 3B 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000023B4734E020, 40 bytes long.
 Data: <&#160;&#245;5G;   &#224; 6G;   > A0 F5 35 47 3B 02 00 00 E0 05 36 47 3B 02 00 00 
{70} normal block at 0x0000023B4735F780, 16 bytes long.
 Data: < &#234;%&#158;&#246;           > 80 EA 25 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023B4735F870, 16 bytes long.
 Data: <@&#233;%&#158;&#246;           > 40 E9 25 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023B4735F410, 16 bytes long.
 Data: <&#248;W"&#158;&#246;           > F8 57 22 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023B4735F550, 16 bytes long.
 Data: <&#216;W"&#158;&#246;           > D8 57 22 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023B47360040, 16 bytes long.
 Data: <P "&#158;&#246;           > 50 04 22 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023B4735F0F0, 16 bytes long.
 Data: <0 "&#158;&#246;           > 30 04 22 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023B4735FFF0, 16 bytes long.
 Data: <&#224; "&#158;&#246;           > E0 02 22 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023B4735F5F0, 16 bytes long.
 Data: <  "&#158;&#246;           > 10 04 22 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023B4735F4B0, 16 bytes long.
 Data: <p "&#158;&#246;           > 70 04 22 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023B4735FC30, 16 bytes long.
 Data: < &#192; &#158;&#246;           > 18 C0 20 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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