Task 38680218

Name test_102-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND7910_0
Workunit 31621950
Created 26 Oct 2026, 23:12:34 UTC
Sent 26 Oct 2026, 23:12:35 UTC
Report deadline 31 Oct 2026, 23:12:35 UTC
Received 26 Oct 2026, 23:33:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651810
Run time 19 min 15 sec
CPU time 18 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.43 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:14:34 (17752): wrapper (7.9.26016): starting
00:14:34 (17752): 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
00:14:35 (17752): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:14:35 (17752): 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
00:33:10 (17752): C:/Windows/system32/cmd.exe exited; CPU time 1109.265625
00:33:10 (17752): 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: 18998751 bytes.
Dumping objects ->
{3835247} normal block at 0x00000158DA245A80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000158DA245A10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x00000158DA2458C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x00000158DA245620, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x00000158DA245700, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x00000158DC015FA0, 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) : {3835159} normal block at 0x00000158DA23DDF0, 8 bytes long.
 Data: <  r&#218;X   > 00 00 72 DA 58 01 00 00 
{3833965} normal block at 0x00000158DA23DA30, 8 bytes long.
 Data: < R&#252;&#219;X   > 00 52 FC DB 58 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000158DA241D50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000158DA236BA0, 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 0x00000158DA246BB0, 16 bytes long.
 Data: < t$&#218;X           > 98 74 24 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000158DA246930, 16 bytes long.
 Data: <pt$&#218;X           > 70 74 24 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000158DA23FD60, 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 0x00000158DA246A20, 16 bytes long.
 Data: <Ht$&#218;X           > 48 74 24 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000158DA2469D0, 16 bytes long.
 Data: < t$&#218;X           > 20 74 24 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000158DA2465C0, 16 bytes long.
 Data: <&#248;s$&#218;X           > F8 73 24 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000158DA246250, 16 bytes long.
 Data: <&#208;s$&#218;X           > D0 73 24 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000158DA245AF0, 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 0x00000158DA2466B0, 16 bytes long.
 Data: <&#184;&#240;"&#218;X           > B8 F0 22 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000158DA240480, 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 0x00000158DA246890, 16 bytes long.
 Data: < &#240;"&#218;X           > 90 F0 22 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000158DA246570, 16 bytes long.
 Data: <h&#240;"&#218;X           > 68 F0 22 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000158DA247010, 16 bytes long.
 Data: <@&#240;"&#218;X           > 40 F0 22 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000158DA246480, 16 bytes long.
 Data: < &#240;"&#218;X           > 18 F0 22 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000158DA2468E0, 16 bytes long.
 Data: <&#240;&#239;"&#218;X           > F0 EF 22 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000158DA246E80, 16 bytes long.
 Data: <&#200;&#239;"&#218;X           > C8 EF 22 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000158DA240A20, 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 0x00000158DA2463E0, 16 bytes long.
 Data: <&#160;&#239;"&#218;X           > A0 EF 22 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000158DA22EFA0, 320 bytes long.
 Data: <&#224;c$&#218;X     $&#218;X   > E0 63 24 DA 58 01 00 00 20 0A 24 DA 58 01 00 00 
{278} normal block at 0x00000158DA246B10, 16 bytes long.
 Data: <&#176;s$&#218;X           > B0 73 24 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000158DA2462A0, 16 bytes long.
 Data: < s$&#218;X           > 88 73 24 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000158DA23FDC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000158DA246F20, 16 bytes long.
 Data: <`s$&#218;X           > 60 73 24 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000158DA2409C0, 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 0x00000158DA246B60, 16 bytes long.
 Data: <&#168;r$&#218;X           > A8 72 24 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000158DA2467F0, 16 bytes long.
 Data: < r$&#218;X           > 80 72 24 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000158DA2462F0, 16 bytes long.
 Data: <Xr$&#218;X           > 58 72 24 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000158DA246750, 16 bytes long.
 Data: <0r$&#218;X           > 30 72 24 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000158DA2464D0, 16 bytes long.
 Data: < r$&#218;X           > 08 72 24 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000158DA246520, 16 bytes long.
 Data: <&#224;q$&#218;X           > E0 71 24 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000158DA246C50, 16 bytes long.
 Data: <&#208;T$&#218;X           > D0 54 24 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000158DA2454D0, 40 bytes long.
 Data: <Pl$&#218;X   &#160;_ &#220;X   > 50 6C 24 DA 58 01 00 00 A0 5F 01 DC 58 01 00 00 
{264} normal block at 0x00000158DA246E30, 16 bytes long.
 Data: <&#192;q$&#218;X           > C0 71 24 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000158DA246700, 16 bytes long.
 Data: < q$&#218;X           > 98 71 24 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000158DA240000, 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 0x00000158DA246AC0, 16 bytes long.
 Data: <pq$&#218;X           > 70 71 24 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000158DA247170, 992 bytes long.
 Data: <&#192;j$&#218;X     $&#218;X   > C0 6A 24 DA 58 01 00 00 00 00 24 DA 58 01 00 00 
{96} normal block at 0x00000158DA240780, 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 0x00000158DA23E1B0, 16 bytes long.
 Data: <p&#201;"&#218;X           > 70 C9 22 DA 58 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000158DA22C970, 40 bytes long.
 Data: <&#176;&#225;#&#218;X     $&#218;X   > B0 E1 23 DA 58 01 00 00 80 07 24 DA 58 01 00 00 
{73} normal block at 0x00000158DA23E7F0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000158DA23DB20, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000158DA23E340, 16 bytes long.
 Data: <&#248;W&#252; &#246;           > F8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000158DA23DB70, 16 bytes long.
 Data: <&#216;W&#252; &#246;           > D8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000158DA23DFD0, 16 bytes long.
 Data: <P &#252; &#246;           > 50 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000158DA23E750, 16 bytes long.
 Data: <0 &#252; &#246;           > 30 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000158DA23E3E0, 16 bytes long.
 Data: <&#224; &#252; &#246;           > E0 02 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000158DA23E700, 16 bytes long.
 Data: <  &#252; &#246;           > 10 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000158DA23E160, 16 bytes long.
 Data: <p &#252; &#246;           > 70 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000158DA23DF30, 16 bytes long.
 Data: < &#192;&#250; &#246;           > 18 C0 FA 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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