Task 38685007

Name test_225-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND6833_0
Workunit 31626499
Created 27 Oct 2026, 18:58:45 UTC
Sent 27 Oct 2026, 18:58:50 UTC
Report deadline 1 Nov 2026, 18:58:50 UTC
Received 27 Oct 2026, 22:31:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590723
Run time 55 min 23 sec
CPU time 48 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.09 MB
Peak swap size 8.36 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:36:22 (15052): wrapper (7.9.26016): starting
16:36:22 (15052): 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
16:36:23 (15052): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:36:23 (15052): 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
17:30:46 (15052): C:/Windows/system32/cmd.exe exited; CPU time 2911.234375
17:30:46 (15052): 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: 50766389 bytes.
Dumping objects ->
{3835508} normal block at 0x000001ED86C05240, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x000001ED86C05160, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835486} normal block at 0x000001ED86C05080, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835475} normal block at 0x000001ED86C04FA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x000001ED86C04EC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835433} normal block at 0x000001ED8893A7B0, 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) : {3835420} normal block at 0x000001ED86BFE7D0, 8 bytes long.
 Data: <  &#188;&#134;&#237;   > 00 00 BC 86 ED 01 00 00 
{3833967} normal block at 0x000001ED86BFEAA0, 8 bytes long.
 Data: <&#192;&#228;&#132; &#237;   > C0 E4 84 88 ED 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001ED86BF6DA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001ED86BF7ED0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001ED86C06820, 16 bytes long.
 Data: <&#184;p&#192;&#134;&#237;           > B8 70 C0 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001ED86C06280, 16 bytes long.
 Data: < p&#192;&#134;&#237;           > 90 70 C0 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001ED86C00840, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001ED86C05F10, 16 bytes long.
 Data: <hp&#192;&#134;&#237;           > 68 70 C0 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001ED86C06230, 16 bytes long.
 Data: <@p&#192;&#134;&#237;           > 40 70 C0 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001ED86C061E0, 16 bytes long.
 Data: < p&#192;&#134;&#237;           > 18 70 C0 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001ED86C06050, 16 bytes long.
 Data: <&#240;o&#192;&#134;&#237;           > F0 6F C0 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001ED86C051D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001ED86C06730, 16 bytes long.
 Data: <&#232;&#164;&#191;&#134;&#237;           > E8 A4 BF 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001ED86C007E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001ED86C06960, 16 bytes long.
 Data: <&#192;&#164;&#191;&#134;&#237;           > C0 A4 BF 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001ED86C065A0, 16 bytes long.
 Data: < &#164;&#191;&#134;&#237;           > 98 A4 BF 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001ED86C06640, 16 bytes long.
 Data: <p&#164;&#191;&#134;&#237;           > 70 A4 BF 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001ED86C06BE0, 16 bytes long.
 Data: <H&#164;&#191;&#134;&#237;           > 48 A4 BF 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001ED86C06910, 16 bytes long.
 Data: < &#164;&#191;&#134;&#237;           > 20 A4 BF 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001ED86C06B90, 16 bytes long.
 Data: <&#248;&#163;&#191;&#134;&#237;           > F8 A3 BF 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001ED86C00780, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001ED86C06AF0, 16 bytes long.
 Data: <&#208;&#163;&#191;&#134;&#237;           > D0 A3 BF 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001ED86BFA3D0, 320 bytes long.
 Data: <&#240;j&#192;&#134;&#237;     &#192;&#134;&#237;   > F0 6A C0 86 ED 01 00 00 80 07 C0 86 ED 01 00 00 
{279} normal block at 0x000001ED86C05E70, 16 bytes long.
 Data: <&#208;o&#192;&#134;&#237;           > D0 6F C0 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001ED86C06550, 16 bytes long.
 Data: <&#168;o&#192;&#134;&#237;           > A8 6F C0 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001ED86C00360, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001ED86C068C0, 16 bytes long.
 Data: < o&#192;&#134;&#237;           > 80 6F C0 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001ED86C01260, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001ED86C06CD0, 16 bytes long.
 Data: <&#200;n&#192;&#134;&#237;           > C8 6E C0 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001ED86C060A0, 16 bytes long.
 Data: <&#160;n&#192;&#134;&#237;           > A0 6E C0 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001ED86C06870, 16 bytes long.
 Data: <xn&#192;&#134;&#237;           > 78 6E C0 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001ED86C05F60, 16 bytes long.
 Data: <Pn&#192;&#134;&#237;           > 50 6E C0 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001ED86C05EC0, 16 bytes long.
 Data: <(n&#192;&#134;&#237;           > 28 6E C0 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001ED86C06000, 16 bytes long.
 Data: < n&#192;&#134;&#237;           > 00 6E C0 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001ED86C06190, 16 bytes long.
 Data: <&#176;R&#192;&#134;&#237;           > B0 52 C0 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001ED86C052B0, 40 bytes long.
 Data: < a&#192;&#134;&#237;   &#176;&#167;&#147; &#237;   > 90 61 C0 86 ED 01 00 00 B0 A7 93 88 ED 01 00 00 
{265} normal block at 0x000001ED86C065F0, 16 bytes long.
 Data: <&#224;m&#192;&#134;&#237;           > E0 6D C0 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001ED86C067D0, 16 bytes long.
 Data: <&#184;m&#192;&#134;&#237;           > B8 6D C0 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001ED86C011A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001ED86C06D20, 16 bytes long.
 Data: < m&#192;&#134;&#237;           > 90 6D C0 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001ED86C06D90, 992 bytes long.
 Data: < m&#192;&#134;&#237;   &#160; &#192;&#134;&#237;   > 20 6D C0 86 ED 01 00 00 A0 11 C0 86 ED 01 00 00 
{97} normal block at 0x000001ED86C00720, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001ED86BFEBE0, 16 bytes long.
 Data: <`M&#191;&#134;&#237;           > 60 4D BF 86 ED 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001ED86BF4D60, 40 bytes long.
 Data: <&#224;&#235;&#191;&#134;&#237;     &#192;&#134;&#237;   > E0 EB BF 86 ED 01 00 00 20 07 C0 86 ED 01 00 00 
{74} normal block at 0x000001ED86BFEDC0, 16 bytes long.
 Data: < &#234;&#160;&#176;&#246;           > 80 EA A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001ED86BFE730, 16 bytes long.
 Data: <@&#233;&#160;&#176;&#246;           > 40 E9 A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001ED86BFE870, 16 bytes long.
 Data: <&#248;W &#176;&#246;           > F8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001ED86BFED70, 16 bytes long.
 Data: <&#216;W &#176;&#246;           > D8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001ED86BFEB90, 16 bytes long.
 Data: <P  &#176;&#246;           > 50 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001ED86BFE6E0, 16 bytes long.
 Data: <0  &#176;&#246;           > 30 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001ED86BFEFF0, 16 bytes long.
 Data: <&#224;  &#176;&#246;           > E0 02 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001ED86BFF180, 16 bytes long.
 Data: <   &#176;&#246;           > 10 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001ED86BFF040, 16 bytes long.
 Data: <p  &#176;&#246;           > 70 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001ED86BFEEB0, 16 bytes long.
 Data: < &#192;&#155;&#176;&#246;           > 18 C0 9B B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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