Task 38665127

Name test_469-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND1397_0
Workunit 31608247
Created 25 Oct 2026, 0:41:47 UTC
Sent 25 Oct 2026, 0:42:01 UTC
Report deadline 30 Oct 2026, 0:42:01 UTC
Received 25 Oct 2026, 11:08:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630396
Run time 9 hours 48 min 59 sec
CPU time 9 hours 48 min 59 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 9,956.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.52 MB
Peak swap size 9.18 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:22:20 (53460): wrapper (7.9.26016): starting
02:22:20 (53460): 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
02:22:23 (53460): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:22:23 (53460): 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\22\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\22\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
12:07:19 (53460): C:/Windows/system32/cmd.exe exited; CPU time 35339.187500
12:07:19 (53460): 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: 667802087 bytes.
Dumping objects ->
{3835467} normal block at 0x00000285B2455FD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x00000285B24564A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835445} normal block at 0x00000285B2455EF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835434} normal block at 0x00000285B24563C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835423} normal block at 0x00000285B2456350, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835392} normal block at 0x00000285B41C82B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835381} normal block at 0x00000285B41DECE0, 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) : {3835378} normal block at 0x00000285B244E820, 8 bytes long.
 Data: <  &#131;&#178;&#133;   > 00 00 83 B2 85 02 00 00 
{3834657} normal block at 0x00000285B41DE3F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000285B244EFA0, 8 bytes long.
 Data: <0&#234;R&#178;&#133;   > 30 EA 52 B2 85 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000285B2451060, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000285B24462C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000285B24548F0, 16 bytes long.
 Data: <&#168;]E&#178;&#133;           > A8 5D 45 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000285B2455390, 16 bytes long.
 Data: < ]E&#178;&#133;           > 80 5D 45 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000285B244F910, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000285B2454DA0, 16 bytes long.
 Data: <X]E&#178;&#133;           > 58 5D 45 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000285B2454D50, 16 bytes long.
 Data: <0]E&#178;&#133;           > 30 5D 45 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000285B2454990, 16 bytes long.
 Data: < ]E&#178;&#133;           > 08 5D 45 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000285B2454DF0, 16 bytes long.
 Data: <&#224;\E&#178;&#133;           > E0 5C 45 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000285B2456040, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000285B2455480, 16 bytes long.
 Data: <( D&#178;&#133;           > 28 90 44 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000285B244FAF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000285B24553E0, 16 bytes long.
 Data: <  D&#178;&#133;           > 00 90 44 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000285B2454D00, 16 bytes long.
 Data: <&#216; D&#178;&#133;           > D8 8F 44 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000285B2454B70, 16 bytes long.
 Data: <&#176; D&#178;&#133;           > B0 8F 44 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000285B24552F0, 16 bytes long.
 Data: <  D&#178;&#133;           > 88 8F 44 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000285B24548A0, 16 bytes long.
 Data: <` D&#178;&#133;           > 60 8F 44 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000285B2454C60, 16 bytes long.
 Data: <8 D&#178;&#133;           > 38 8F 44 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000285B244FD30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000285B2454B20, 16 bytes long.
 Data: <  D&#178;&#133;           > 10 8F 44 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000285B2448F10, 320 bytes long.
 Data: < KE&#178;&#133;   0&#253;D&#178;&#133;   > 20 4B 45 B2 85 02 00 00 30 FD 44 B2 85 02 00 00 
{275} normal block at 0x00000285B2455340, 16 bytes long.
 Data: <&#192;\E&#178;&#133;           > C0 5C 45 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000285B24546C0, 16 bytes long.
 Data: < \E&#178;&#133;           > 98 5C 45 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000285B244FE50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000285B2454CB0, 16 bytes long.
 Data: <p\E&#178;&#133;           > 70 5C 45 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000285B244FF70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000285B2454A80, 16 bytes long.
 Data: <&#184;[E&#178;&#133;           > B8 5B 45 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000285B2454C10, 16 bytes long.
 Data: < [E&#178;&#133;           > 90 5B 45 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000285B24555C0, 16 bytes long.
 Data: <h[E&#178;&#133;           > 68 5B 45 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000285B2455110, 16 bytes long.
 Data: <@[E&#178;&#133;           > 40 5B 45 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000285B2454850, 16 bytes long.
 Data: < [E&#178;&#133;           > 18 5B 45 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000285B2454940, 16 bytes long.
 Data: <&#240;ZE&#178;&#133;           > F0 5A 45 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000285B24547B0, 16 bytes long.
 Data: <P&#194;C&#178;&#133;           > 50 C2 43 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000285B243C250, 40 bytes long.
 Data: <&#176;GE&#178;&#133;   &#176;&#130; &#180;&#133;   > B0 47 45 B2 85 02 00 00 B0 82 1C B4 85 02 00 00 
{261} normal block at 0x00000285B2455520, 16 bytes long.
 Data: <&#208;ZE&#178;&#133;           > D0 5A 45 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000285B2455020, 16 bytes long.
 Data: <&#168;ZE&#178;&#133;           > A8 5A 45 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000285B24502D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000285B2454800, 16 bytes long.
 Data: < ZE&#178;&#133;           > 80 5A 45 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000285B2455A80, 992 bytes long.
 Data: < HE&#178;&#133;   &#208; E&#178;&#133;   > 00 48 45 B2 85 02 00 00 D0 02 45 B2 85 02 00 00 
{93} normal block at 0x00000285B244FDF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000285B244EA50, 16 bytes long.
 Data: <&#160;&#211;C&#178;&#133;           > A0 D3 43 B2 85 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000285B243D3A0, 40 bytes long.
 Data: <P&#234;D&#178;&#133;   &#240;&#253;D&#178;&#133;   > 50 EA 44 B2 85 02 00 00 F0 FD 44 B2 85 02 00 00 
{70} normal block at 0x00000285B244F270, 16 bytes long.
 Data: < &#234;&#233;&#244;&#247;           > 80 EA E9 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000285B244EFF0, 16 bytes long.
 Data: <@&#233;&#233;&#244;&#247;           > 40 E9 E9 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000285B244F220, 16 bytes long.
 Data: <&#248;W&#230;&#244;&#247;           > F8 57 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000285B244ED20, 16 bytes long.
 Data: <&#216;W&#230;&#244;&#247;           > D8 57 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000285B244EF50, 16 bytes long.
 Data: <P &#230;&#244;&#247;           > 50 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000285B244F0E0, 16 bytes long.
 Data: <0 &#230;&#244;&#247;           > 30 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000285B244EF00, 16 bytes long.
 Data: <&#224; &#230;&#244;&#247;           > E0 02 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000285B244F180, 16 bytes long.
 Data: <  &#230;&#244;&#247;           > 10 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000285B244EDC0, 16 bytes long.
 Data: <p &#230;&#244;&#247;           > 70 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000285B244EC30, 16 bytes long.
 Data: < &#192;&#228;&#244;&#247;           > 18 C0 E4 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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