Task 38654430

Name test_723-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND5008_0
Workunit 31598252
Created 24 Oct 2026, 7:18:27 UTC
Sent 24 Oct 2026, 7:18:38 UTC
Report deadline 29 Oct 2026, 7:18:38 UTC
Received 24 Oct 2026, 10:47:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 574909
Run time 2 hours 45 min 5 sec
CPU time 2 hours 42 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,906.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.82 MB
Peak swap size 5.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:03:11 (8896): wrapper (7.9.26016): starting
03:03:11 (8896): 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
03:03:13 (8896): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:03:13 (8896): 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
05:46:52 (8896): C:/Windows/system32/cmd.exe exited; CPU time 9739.718750
05:46:52 (8896): 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: 161340927 bytes.
Dumping objects ->
{3835202} normal block at 0x000002395AB6D180, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x0000023958E24EF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835180} normal block at 0x0000023958E25190, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835169} normal block at 0x0000023958E24CC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x0000023958E24DA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835127} normal block at 0x000002395ABB6690, 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) : {3835114} normal block at 0x0000023958E1DA00, 8 bytes long.
 Data: <  DY9   > 00 00 44 59 39 02 00 00 
{3833965} normal block at 0x0000023958E1E0E0, 8 bytes long.
 Data: <&#160;&#218;&#224;X9   > A0 DA E0 58 39 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000023958E218C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000023958E16B90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000023958E26780, 16 bytes long.
 Data: <&#184;k&#226;X9           > B8 6B E2 58 39 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023958E26690, 16 bytes long.
 Data: < k&#226;X9           > 90 6B E2 58 39 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023958E1F3F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000023958E25C40, 16 bytes long.
 Data: <hk&#226;X9           > 68 6B E2 58 39 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023958E26050, 16 bytes long.
 Data: <@k&#226;X9           > 40 6B E2 58 39 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023958E26000, 16 bytes long.
 Data: < k&#226;X9           > 18 6B E2 58 39 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023958E26230, 16 bytes long.
 Data: <&#240;j&#226;X9           > F0 6A E2 58 39 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023958E24E80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000023958E26190, 16 bytes long.
 Data: <X&#147;&#225;X9           > 58 93 E1 58 39 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023958E1FCF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000023958E265A0, 16 bytes long.
 Data: <0&#147;&#225;X9           > 30 93 E1 58 39 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023958E266E0, 16 bytes long.
 Data: < &#147;&#225;X9           > 08 93 E1 58 39 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023958E25A60, 16 bytes long.
 Data: <&#224;&#146;&#225;X9           > E0 92 E1 58 39 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023958E25F10, 16 bytes long.
 Data: <&#184;&#146;&#225;X9           > B8 92 E1 58 39 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023958E267D0, 16 bytes long.
 Data: < &#146;&#225;X9           > 90 92 E1 58 39 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023958E25BF0, 16 bytes long.
 Data: <h&#146;&#225;X9           > 68 92 E1 58 39 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023958E1F810, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000023958E25C90, 16 bytes long.
 Data: <@&#146;&#225;X9           > 40 92 E1 58 39 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023958E19240, 320 bytes long.
 Data: < \&#226;X9    &#248;&#225;X9   > 90 5C E2 58 39 02 00 00 10 F8 E1 58 39 02 00 00 
{278} normal block at 0x0000023958E26460, 16 bytes long.
 Data: <&#208;j&#226;X9           > D0 6A E2 58 39 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023958E25E20, 16 bytes long.
 Data: <&#168;j&#226;X9           > A8 6A E2 58 39 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023958E1F510, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000023958E26550, 16 bytes long.
 Data: < j&#226;X9           > 80 6A E2 58 39 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023958E1F390, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000023958E26140, 16 bytes long.
 Data: <&#200;i&#226;X9           > C8 69 E2 58 39 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023958E25920, 16 bytes long.
 Data: <&#160;i&#226;X9           > A0 69 E2 58 39 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023958E260F0, 16 bytes long.
 Data: <xi&#226;X9           > 78 69 E2 58 39 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023958E25BA0, 16 bytes long.
 Data: <Pi&#226;X9           > 50 69 E2 58 39 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023958E25EC0, 16 bytes long.
 Data: <(i&#226;X9           > 28 69 E2 58 39 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023958E25D80, 16 bytes long.
 Data: < i&#226;X9           > 00 69 E2 58 39 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023958E25E70, 16 bytes long.
 Data: <&#224;R&#226;X9           > E0 52 E2 58 39 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023958E252E0, 40 bytes long.
 Data: <p^&#226;X9    f&#187;Z9   > 70 5E E2 58 39 02 00 00 90 66 BB 5A 39 02 00 00 
{264} normal block at 0x0000023958E25B00, 16 bytes long.
 Data: <&#224;h&#226;X9           > E0 68 E2 58 39 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023958E264B0, 16 bytes long.
 Data: <&#184;h&#226;X9           > B8 68 E2 58 39 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023958E1F630, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000023958E25D30, 16 bytes long.
 Data: < h&#226;X9           > 90 68 E2 58 39 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023958E26890, 992 bytes long.
 Data: <0]&#226;X9   0&#246;&#225;X9   > 30 5D E2 58 39 02 00 00 30 F6 E1 58 39 02 00 00 
{96} normal block at 0x0000023958E1FB10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000023958E1D4B0, 16 bytes long.
 Data: < &#237;&#225;X9           > 00 ED E1 58 39 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000023958E1ED00, 40 bytes long.
 Data: <&#176;&#212;&#225;X9    &#251;&#225;X9   > B0 D4 E1 58 39 02 00 00 10 FB E1 58 39 02 00 00 
{73} normal block at 0x0000023958E1E090, 16 bytes long.
 Data: < &#234; &#241;&#247;           > 80 EA 1C F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000023958E1D6E0, 16 bytes long.
 Data: <@&#233; &#241;&#247;           > 40 E9 1C F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023958E1D5F0, 16 bytes long.
 Data: <&#248;W &#241;&#247;           > F8 57 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023958E1D5A0, 16 bytes long.
 Data: <&#216;W &#241;&#247;           > D8 57 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023958E1D550, 16 bytes long.
 Data: <P  &#241;&#247;           > 50 04 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023958E1E310, 16 bytes long.
 Data: <0  &#241;&#247;           > 30 04 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023958E1DB40, 16 bytes long.
 Data: <&#224;  &#241;&#247;           > E0 02 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023958E1DFA0, 16 bytes long.
 Data: <   &#241;&#247;           > 10 04 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023958E1DD20, 16 bytes long.
 Data: <p  &#241;&#247;           > 70 04 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023958E1DF50, 16 bytes long.
 Data: < &#192; &#241;&#247;           > 18 C0 17 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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