Task 38685309

Name test_183-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND5057_0
Workunit 31626784
Created 27 Oct 2026, 20:25:51 UTC
Sent 27 Oct 2026, 20:25:54 UTC
Report deadline 1 Nov 2026, 20:25:54 UTC
Received 27 Oct 2026, 21:37:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641471
Run time 41 min 20 sec
CPU time 38 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.17 MB
Peak swap size 8.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:56:09 (17868): wrapper (7.9.26016): starting
20:56:09 (17868): 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
20:56:12 (17868): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:56:12 (17868): 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\17\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\17\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
21:36:22 (17868): C:/Windows/system32/cmd.exe exited; CPU time 2333.421875
21:36:22 (17868): 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: 41036239 bytes.
Dumping objects ->
{3835253} normal block at 0x000002721F7ACFC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x000002721DA546B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000002721DA54D40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x000002721DA54CD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000002721DA54790, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x000002721F7F78D0, 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) : {3835165} normal block at 0x000002721DA50360, 8 bytes long.
 Data: <  &#158; r   > 00 00 9E 1D 72 02 00 00 
{3833961} normal block at 0x000002721DA50590, 8 bytes long.
 Data: < 8&#133; r   > 20 38 85 1F 72 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002721DA50DD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002721DA3EE80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002721DA55EB0, 16 bytes long.
 Data: < U&#165; r           > 98 55 A5 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002721DA55E10, 16 bytes long.
 Data: <pU&#165; r           > 70 55 A5 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002721DA4EF50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002721DA556E0, 16 bytes long.
 Data: <HU&#165; r           > 48 55 A5 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002721DA55A50, 16 bytes long.
 Data: < U&#165; r           > 20 55 A5 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002721DA56220, 16 bytes long.
 Data: <&#248;T&#165; r           > F8 54 A5 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002721DA55D70, 16 bytes long.
 Data: <&#208;T&#165; r           > D0 54 A5 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002721DA54800, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002721DA55FA0, 16 bytes long.
 Data: <&#168; &#164; r           > A8 0A A4 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002721DA4F2B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002721DA561D0, 16 bytes long.
 Data: <  &#164; r           > 80 0A A4 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002721DA56270, 16 bytes long.
 Data: <X &#164; r           > 58 0A A4 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002721DA55B90, 16 bytes long.
 Data: <0 &#164; r           > 30 0A A4 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002721DA55BE0, 16 bytes long.
 Data: <  &#164; r           > 08 0A A4 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002721DA55DC0, 16 bytes long.
 Data: <&#224;	&#164; r           > E0 09 A4 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002721DA55D20, 16 bytes long.
 Data: <&#184;	&#164; r           > B8 09 A4 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002721DA4ED70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002721DA56130, 16 bytes long.
 Data: < 	&#164; r           > 90 09 A4 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002721DA40990, 320 bytes long.
 Data: <0a&#165; r   p&#237;&#164; r   > 30 61 A5 1D 72 02 00 00 70 ED A4 1D 72 02 00 00 
{276} normal block at 0x000002721DA56180, 16 bytes long.
 Data: <&#176;T&#165; r           > B0 54 A5 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002721DA55CD0, 16 bytes long.
 Data: < T&#165; r           > 88 54 A5 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002721DA4F1F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002721DA56450, 16 bytes long.
 Data: <`T&#165; r           > 60 54 A5 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002721DA4F3D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002721DA55C80, 16 bytes long.
 Data: <&#168;S&#165; r           > A8 53 A5 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002721DA56040, 16 bytes long.
 Data: < S&#165; r           > 80 53 A5 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002721DA55C30, 16 bytes long.
 Data: <XS&#165; r           > 58 53 A5 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002721DA55960, 16 bytes long.
 Data: <0S&#165; r           > 30 53 A5 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002721DA50450, 16 bytes long.
 Data: < S&#165; r           > 08 53 A5 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002721DA50310, 16 bytes long.
 Data: <&#224;R&#165; r           > E0 52 A5 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002721DA4FC30, 16 bytes long.
 Data: <&#176;M&#165; r           > B0 4D A5 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002721DA54DB0, 40 bytes long.
 Data: <0&#252;&#164; r   &#208;x  r   > 30 FC A4 1D 72 02 00 00 D0 78 7F 1F 72 02 00 00 
{262} normal block at 0x000002721DA502C0, 16 bytes long.
 Data: <&#192;R&#165; r           > C0 52 A5 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002721DA4FBE0, 16 bytes long.
 Data: < R&#165; r           > 98 52 A5 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002721DA4EDD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002721DA50270, 16 bytes long.
 Data: <pR&#165; r           > 70 52 A5 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002721DA55270, 992 bytes long.
 Data: <p &#165; r   &#208;&#237;&#164; r   > 70 02 A5 1D 72 02 00 00 D0 ED A4 1D 72 02 00 00 
{94} normal block at 0x000002721DA4F490, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002721DA4FD70, 16 bytes long.
 Data: <@&#245;&#163; r           > 40 F5 A3 1D 72 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002721DA3F540, 40 bytes long.
 Data: <p&#253;&#164; r    &#244;&#164; r   > 70 FD A4 1D 72 02 00 00 90 F4 A4 1D 72 02 00 00 
{71} normal block at 0x000002721DA4FFA0, 16 bytes long.
 Data: < &#234; p&#247;           > 80 EA 08 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002721DA4F820, 16 bytes long.
 Data: <@&#233; p&#247;           > 40 E9 08 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002721DA50090, 16 bytes long.
 Data: <&#248;W p&#247;           > F8 57 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002721DA4F9B0, 16 bytes long.
 Data: <&#216;W p&#247;           > D8 57 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002721DA4F960, 16 bytes long.
 Data: <P  p&#247;           > 50 04 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002721DA4F8C0, 16 bytes long.
 Data: <0  p&#247;           > 30 04 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002721DA4FEB0, 16 bytes long.
 Data: <&#224;  p&#247;           > E0 02 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002721DA4F910, 16 bytes long.
 Data: <   p&#247;           > 10 04 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002721DA50630, 16 bytes long.
 Data: <p  p&#247;           > 70 04 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002721DA50040, 16 bytes long.
 Data: < &#192; p&#247;           > 18 C0 03 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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