Task 38675117

Name test_495-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND7863_1
Workunit 31617080
Created 26 Oct 2026, 7:19:05 UTC
Sent 26 Oct 2026, 7:19:07 UTC
Report deadline 31 Oct 2026, 7:19:07 UTC
Received 26 Oct 2026, 8:47:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632103
Run time 29 min 29 sec
CPU time 29 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,329.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.20 MB
Peak swap size 9.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:17:55 (5560): wrapper (7.9.26016): starting
09:17:55 (5560): 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
09:17:56 (5560): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:17:56 (5560): 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
09:46:36 (5560): C:/Windows/system32/cmd.exe exited; CPU time 1740.109375
09:46:36 (5560): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 bytes in 8 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: 20386023 bytes.
Dumping objects ->
{3835245} normal block at 0x0000022DE1B713A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000022DE1B71410, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000022DE1B70920, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x0000022DE1B70AE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000022DE1B708B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x0000022DE1C1C8D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x0000022DE1CC2450, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835156} normal block at 0x0000022DDFF869E0, 8 bytes long.
 Data: <  &#239;&#223;-   > 00 00 EF DF 2D 02 00 00 
{3834558} normal block at 0x0000022DE1CC22B0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x0000022DDFF87430, 8 bytes long.
 Data: <&#208;v&#199;&#225;-   > D0 76 C7 E1 2D 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000022DDFF92400, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000022DDFF75C30, 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 0x0000022DDFF93C60, 16 bytes long.
 Data: <8F&#249;&#223;-           > 38 46 F9 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022DDFF93710, 16 bytes long.
 Data: < F&#249;&#223;-           > 10 46 F9 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022DDFF8D270, 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 0x0000022DDFF93F80, 16 bytes long.
 Data: <&#232;E&#249;&#223;-           > E8 45 F9 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022DDFF936C0, 16 bytes long.
 Data: <&#192;E&#249;&#223;-           > C0 45 F9 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022DDFF93670, 16 bytes long.
 Data: < E&#249;&#223;-           > 98 45 F9 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022DDFF93440, 16 bytes long.
 Data: <pE&#249;&#223;-           > 70 45 F9 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022DDFF8B270, 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 0x0000022DDFF93C10, 16 bytes long.
 Data: <&#184;&#191;&#247;&#223;-           > B8 BF F7 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022DDFF8D3F0, 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 0x0000022DDFF93490, 16 bytes long.
 Data: < &#191;&#247;&#223;-           > 90 BF F7 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022DDFF93BC0, 16 bytes long.
 Data: <h&#191;&#247;&#223;-           > 68 BF F7 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022DDFF93800, 16 bytes long.
 Data: <@&#191;&#247;&#223;-           > 40 BF F7 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022DDFF93A80, 16 bytes long.
 Data: < &#191;&#247;&#223;-           > 18 BF F7 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022DDFF93E90, 16 bytes long.
 Data: <&#240;&#190;&#247;&#223;-           > F0 BE F7 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022DDFF94020, 16 bytes long.
 Data: <&#200;&#190;&#247;&#223;-           > C8 BE F7 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022DDFF8D390, 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 0x0000022DDFF933F0, 16 bytes long.
 Data: <&#160;&#190;&#247;&#223;-           > A0 BE F7 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022DDFF7BEA0, 320 bytes long.
 Data: <&#240;3&#249;&#223;-    &#211;&#248;&#223;-   > F0 33 F9 DF 2D 02 00 00 90 D3 F8 DF 2D 02 00 00 
{279} normal block at 0x0000022DDFF93E40, 16 bytes long.
 Data: <PE&#249;&#223;-           > 50 45 F9 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022DDFF94200, 16 bytes long.
 Data: <(E&#249;&#223;-           > 28 45 F9 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022DDFF8C8B0, 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 0x0000022DDFF93990, 16 bytes long.
 Data: < E&#249;&#223;-           > 00 45 F9 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022DDFF8D510, 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 0x0000022DDFF93DA0, 16 bytes long.
 Data: <HD&#249;&#223;-           > 48 44 F9 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022DDFF940C0, 16 bytes long.
 Data: < D&#249;&#223;-           > 20 44 F9 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022DDFF93620, 16 bytes long.
 Data: <&#248;C&#249;&#223;-           > F8 43 F9 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022DDFF933A0, 16 bytes long.
 Data: <&#208;C&#249;&#223;-           > D0 43 F9 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022DDFF93F30, 16 bytes long.
 Data: <&#168;C&#249;&#223;-           > A8 43 F9 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022DDFF93850, 16 bytes long.
 Data: < C&#249;&#223;-           > 80 43 F9 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022DDFF93FD0, 16 bytes long.
 Data: <p&#185;&#248;&#223;-           > 70 B9 F8 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022DDFF8B970, 40 bytes long.
 Data: <&#208;?&#249;&#223;-   &#208;&#200;&#193;&#225;-   > D0 3F F9 DF 2D 02 00 00 D0 C8 C1 E1 2D 02 00 00 
{265} normal block at 0x0000022DDFF93350, 16 bytes long.
 Data: <`C&#249;&#223;-           > 60 43 F9 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022DDFF93B20, 16 bytes long.
 Data: <8C&#249;&#223;-           > 38 43 F9 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022DDFF8CA30, 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 0x0000022DDFF938A0, 16 bytes long.
 Data: < C&#249;&#223;-           > 10 43 F9 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022DDFF94310, 992 bytes long.
 Data: <&#160;8&#249;&#223;-   0&#202;&#248;&#223;-   > A0 38 F9 DF 2D 02 00 00 30 CA F8 DF 2D 02 00 00 
{97} normal block at 0x0000022DDFF8D570, 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 0x0000022DDFF87070, 16 bytes long.
 Data: <&#208;&#182;&#248;&#223;-           > D0 B6 F8 DF 2D 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000022DDFF8B6D0, 40 bytes long.
 Data: <pp&#248;&#223;-   p&#213;&#248;&#223;-   > 70 70 F8 DF 2D 02 00 00 70 D5 F8 DF 2D 02 00 00 
{74} normal block at 0x0000022DDFF86580, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 90 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000022DDFF86CB0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 90 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022DDFF87340, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022DDFF86B20, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022DDFF873E0, 16 bytes long.
 Data: <P   &#246;           > 50 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022DDFF87020, 16 bytes long.
 Data: <0   &#246;           > 30 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022DDFF86A30, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022DDFF86D50, 16 bytes long.
 Data: <    &#246;           > 10 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022DDFF86940, 16 bytes long.
 Data: <p   &#246;           > 70 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022DDFF86A80, 16 bytes long.
 Data: < &#192;&#139; &#246;           > 18 C0 8B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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