Task 38665068

Name test_565-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND4447_0
Workunit 31608188
Created 25 Oct 2026, 0:36:06 UTC
Sent 25 Oct 2026, 1:03:21 UTC
Report deadline 30 Oct 2026, 1:03:21 UTC
Received 25 Oct 2026, 11:47:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652367
Run time 1 hours 23 min 28 sec
CPU time 1 hours 16 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 24,724.80 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.81 MB
Peak swap size 12.99 GB
Peak disk usage 3.71 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:27:05 (38092): wrapper (7.9.26016): starting
13:27:05 (38092): 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
13:27:08 (38092): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:27:08 (38092): 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\15\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\15\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
14:46:24 (38092): C:/Windows/system32/cmd.exe exited; CPU time 4582.953125
14:46:24 (38092): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 114087369 bytes.
Dumping objects ->
{3835530} normal block at 0x00000240F118DBC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835519} normal block at 0x00000240F118D6F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x00000240F118D370, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835497} normal block at 0x00000240EF4A4CA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835486} normal block at 0x00000240EF4A4ED0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835455} normal block at 0x00000240F11D6C70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835444} normal block at 0x00000240F11EEB10, 102 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) : {3835441} normal block at 0x00000240EF49D720, 8 bytes long.
 Data: <   &#239;@   > 00 00 88 EF 40 02 00 00 
{3834698} normal block at 0x00000240F11EE7A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x00000240EF49DEF0, 8 bytes long.
 Data: <pH&&#241;@   > 70 48 26 F1 40 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000240EF4A1570, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000240EF48D1B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000240EF4A6720, 16 bytes long.
 Data: <&#184;jJ&#239;@           > B8 6A 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000240EF4A5870, 16 bytes long.
 Data: < jJ&#239;@           > 90 6A 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000240EF4A0080, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000240EF4A61D0, 16 bytes long.
 Data: <hjJ&#239;@           > 68 6A 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000240EF4A64F0, 16 bytes long.
 Data: <@jJ&#239;@           > 40 6A 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000240EF4A5CD0, 16 bytes long.
 Data: < jJ&#239;@           > 18 6A 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000240EF4A6040, 16 bytes long.
 Data: <&#240;iJ&#239;@           > F0 69 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000240EF4A4F40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000240EF4A5AF0, 16 bytes long.
 Data: <hVJ&#239;@           > 68 56 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000240EF49FFC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000240EF4A5BE0, 16 bytes long.
 Data: <@VJ&#239;@           > 40 56 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000240EF4A6680, 16 bytes long.
 Data: < VJ&#239;@           > 18 56 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000240EF4A5AA0, 16 bytes long.
 Data: <&#240;UJ&#239;@           > F0 55 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000240EF4A5F50, 16 bytes long.
 Data: <&#200;UJ&#239;@           > C8 55 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000240EF4A5C80, 16 bytes long.
 Data: <&#160;UJ&#239;@           > A0 55 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000240EF4A63B0, 16 bytes long.
 Data: <xUJ&#239;@           > 78 55 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000240EF49FBA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000240EF4A5EB0, 16 bytes long.
 Data: <PUJ&#239;@           > 50 55 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000240EF4A5550, 320 bytes long.
 Data: <&#176;^J&#239;@   &#160;&#251;I&#239;@   > B0 5E 4A EF 40 02 00 00 A0 FB 49 EF 40 02 00 00 
{280} normal block at 0x00000240EF4A60E0, 16 bytes long.
 Data: <&#208;iJ&#239;@           > D0 69 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000240EF4A5820, 16 bytes long.
 Data: <&#168;iJ&#239;@           > A8 69 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000240EF49F660, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000240EF4A58C0, 16 bytes long.
 Data: < iJ&#239;@           > 80 69 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000240EF49F780, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000240EF4A5FA0, 16 bytes long.
 Data: <&#200;hJ&#239;@           > C8 68 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000240EF4A5B40, 16 bytes long.
 Data: <&#160;hJ&#239;@           > A0 68 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000240EF4A5C30, 16 bytes long.
 Data: <xhJ&#239;@           > 78 68 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000240EF4A5FF0, 16 bytes long.
 Data: <PhJ&#239;@           > 50 68 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000240EF4A6090, 16 bytes long.
 Data: <(hJ&#239;@           > 28 68 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000240EF4A5A50, 16 bytes long.
 Data: < hJ&#239;@           > 00 68 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000240EF4A66D0, 16 bytes long.
 Data: < PJ&#239;@           > 90 50 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000240EF4A5090, 40 bytes long.
 Data: <&#208;fJ&#239;@   pl &#241;@   > D0 66 4A EF 40 02 00 00 70 6C 1D F1 40 02 00 00 
{266} normal block at 0x00000240EF4A6630, 16 bytes long.
 Data: <&#224;gJ&#239;@           > E0 67 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000240EF4A5B90, 16 bytes long.
 Data: <&#184;gJ&#239;@           > B8 67 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000240EF49FD80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000240EF4A6360, 16 bytes long.
 Data: < gJ&#239;@           > 90 67 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000240EF4A6790, 992 bytes long.
 Data: <`cJ&#239;@    &#253;I&#239;@   > 60 63 4A EF 40 02 00 00 80 FD 49 EF 40 02 00 00 
{98} normal block at 0x00000240EF49FDE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000240EF49D310, 16 bytes long.
 Data: <&#240;MJ&#239;@           > F0 4D 4A EF 40 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000240EF4A4DF0, 40 bytes long.
 Data: < &#211;I&#239;@   &#224;&#253;I&#239;@   > 10 D3 49 EF 40 02 00 00 E0 FD 49 EF 40 02 00 00 
{75} normal block at 0x00000240EF49D540, 16 bytes long.
 Data: < &#234;&#154; &#247;           > 80 EA 9A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000240EF49DF40, 16 bytes long.
 Data: <@&#233;&#154; &#247;           > 40 E9 9A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000240EF49D9A0, 16 bytes long.
 Data: <&#248;W&#151; &#247;           > F8 57 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000240EF49D400, 16 bytes long.
 Data: <&#216;W&#151; &#247;           > D8 57 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000240EF49D860, 16 bytes long.
 Data: <P &#151; &#247;           > 50 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000240EF49D4F0, 16 bytes long.
 Data: <0 &#151; &#247;           > 30 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000240EF49D900, 16 bytes long.
 Data: <&#224; &#151; &#247;           > E0 02 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000240EF49DC20, 16 bytes long.
 Data: <  &#151; &#247;           > 10 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000240EF49D6D0, 16 bytes long.
 Data: <p &#151; &#247;           > 70 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000240EF49D680, 16 bytes long.
 Data: < &#192;&#149; &#247;           > 18 C0 95 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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