Task 38670234

Name test_101-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND7693_1
Workunit 31612461
Created 25 Oct 2026, 16:51:23 UTC
Sent 25 Oct 2026, 16:51:35 UTC
Report deadline 30 Oct 2026, 16:51:35 UTC
Received 25 Oct 2026, 17:32:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651312
Run time 18 min 5 sec
CPU time 17 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.99 MB
Peak swap size 10.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
12:14:24 (40108): wrapper (7.9.26016): starting
12:14:24 (40108): 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
12:14:25 (40108): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:14:25 (40108): 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\19\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\19\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
12:32:08 (40108): C:/Windows/system32/cmd.exe exited; CPU time 1025.312500
12:32:08 (40108): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 23058691 bytes.
Dumping objects ->
{3835289} normal block at 0x0000024B4F7757B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835278} normal block at 0x0000024B4F775740, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x0000024B4F7755F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835256} normal block at 0x0000024B4F775580, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x0000024B4F7754A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835214} normal block at 0x0000024B51439D70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x0000024B4F7CE3F0, 135 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) : {3835200} normal block at 0x0000024B4F7702D0, 8 bytes long.
 Data: <  &#179;OK   > 00 00 B3 4F 4B 02 00 00 
{3834577} normal block at 0x0000024B4F7CE0B0, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000024B4F770AF0, 8 bytes long.
 Data: < SIQK   > 80 53 49 51 4B 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000024B4F771B50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024B4F766CB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000024B4F7771B0, 16 bytes long.
 Data: <HcwOK           > 48 63 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024B4F776A80, 16 bytes long.
 Data: < cwOK           > 20 63 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024B4F76F450, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000024B4F7765D0, 16 bytes long.
 Data: <&#248;bwOK           > F8 62 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024B4F776DA0, 16 bytes long.
 Data: <&#208;bwOK           > D0 62 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024B4F776760, 16 bytes long.
 Data: <&#168;bwOK           > A8 62 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024B4F776580, 16 bytes long.
 Data: < bwOK           > 80 62 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024B4F775900, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000024B4F776940, 16 bytes long.
 Data: <x]wOK           > 78 5D 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024B4F76F2D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000024B4F776710, 16 bytes long.
 Data: <P]wOK           > 50 5D 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024B4F776800, 16 bytes long.
 Data: <(]wOK           > 28 5D 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024B4F777200, 16 bytes long.
 Data: < ]wOK           > 00 5D 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024B4F776FD0, 16 bytes long.
 Data: <&#216;\wOK           > D8 5C 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024B4F776BC0, 16 bytes long.
 Data: <&#176;\wOK           > B0 5C 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024B4F776670, 16 bytes long.
 Data: < \wOK           > 88 5C 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024B4F76FDB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000024B4F776F30, 16 bytes long.
 Data: <`\wOK           > 60 5C 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024B4F775C60, 320 bytes long.
 Data: <0owOK   &#176;&#253;vOK   > 30 6F 77 4F 4B 02 00 00 B0 FD 76 4F 4B 02 00 00 
{273} normal block at 0x0000024B4F7768F0, 16 bytes long.
 Data: <`bwOK           > 60 62 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024B4F776A30, 16 bytes long.
 Data: <8bwOK           > 38 62 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024B4F76F5D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000024B4F776E90, 16 bytes long.
 Data: < bwOK           > 10 62 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024B4F76F570, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000024B4F7773E0, 16 bytes long.
 Data: <XawOK           > 58 61 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024B4F776EE0, 16 bytes long.
 Data: <0awOK           > 30 61 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024B4F7772F0, 16 bytes long.
 Data: < awOK           > 08 61 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024B4F776850, 16 bytes long.
 Data: <&#224;`wOK           > E0 60 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024B4F770A50, 16 bytes long.
 Data: <&#184;`wOK           > B8 60 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024B4F770B90, 16 bytes long.
 Data: < `wOK           > 90 60 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024B4F7709B0, 16 bytes long.
 Data: <&#224;YwOK           > E0 59 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024B4F7759E0, 40 bytes long.
 Data: <&#176;	wOK   p CQK   > B0 09 77 4F 4B 02 00 00 70 9D 43 51 4B 02 00 00 
{259} normal block at 0x0000024B4F7708C0, 16 bytes long.
 Data: <p`wOK           > 70 60 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024B4F7700F0, 16 bytes long.
 Data: <H`wOK           > 48 60 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024B4F76F270, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000024B4F770E10, 16 bytes long.
 Data: < `wOK           > 20 60 77 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000024B4F776020, 992 bytes long.
 Data: <  wOK   p&#242;vOK   > 10 0E 77 4F 4B 02 00 00 70 F2 76 4F 4B 02 00 00 
{91} normal block at 0x0000024B4F76F630, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000024B4F7700A0, 16 bytes long.
 Data: <0&#242;uOK           > 30 F2 75 4F 4B 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000024B4F75F230, 40 bytes long.
 Data: <&#160; wOK   0&#246;vOK   > A0 00 77 4F 4B 02 00 00 30 F6 76 4F 4B 02 00 00 
{68} normal block at 0x0000024B4F770320, 16 bytes long.
 Data: < &#234;&#140; &#247;           > 80 EA 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024B4F7704B0, 16 bytes long.
 Data: <@&#233;&#140; &#247;           > 40 E9 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024B4F770730, 16 bytes long.
 Data: <&#248;W&#137; &#247;           > F8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024B4F770690, 16 bytes long.
 Data: <&#216;W&#137; &#247;           > D8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024B4F770460, 16 bytes long.
 Data: <P &#137; &#247;           > 50 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024B4F770050, 16 bytes long.
 Data: <0 &#137; &#247;           > 30 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024B4F76FF60, 16 bytes long.
 Data: <&#224; &#137; &#247;           > E0 02 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024B4F7703C0, 16 bytes long.
 Data: <  &#137; &#247;           > 10 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024B4F770140, 16 bytes long.
 Data: <p &#137; &#247;           > 70 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024B4F770CD0, 16 bytes long.
 Data: < &#192;&#135; &#247;           > 18 C0 87 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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