Task 38662187

Name test_1375-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND4498_0
Workunit 31605457
Created 24 Oct 2026, 18:20:06 UTC
Sent 24 Oct 2026, 18:20:13 UTC
Report deadline 29 Oct 2026, 18:20:13 UTC
Received 24 Oct 2026, 21:21:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630396
Run time 56 min 29 sec
CPU time 52 min 6 sec
Validate state Valid
Credit 60,000.00
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 755.63 MB
Peak swap size 9.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:12:11 (35568): wrapper (7.9.26016): starting
22:12:11 (35568): 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
22:12:15 (35568): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:12:15 (35568): 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
23:05:36 (35568): C:/Windows/system32/cmd.exe exited; CPU time 3126.218750
23:05:36 (35568): 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: 61324543 bytes.
Dumping objects ->
{3835467} normal block at 0x000001995F075BB0, 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 0x000001995F0759F0, 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 0x000001995F075910, 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 0x000001995F075830, 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 0x000001995F075C90, 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 0x0000019960E87A90, 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 0x0000019960E9E340, 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 0x000001995F06E8F0, 8 bytes long.
 Data: <  h_    > 00 00 68 5F 99 01 00 00 
{3834657} normal block at 0x0000019960E9D8F0, 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 0x000001995F06E260, 8 bytes long.
 Data: < 5&#241;`    > 90 35 F1 60 99 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001995F070190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001995F065580, 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 0x000001995F075020, 16 bytes long.
 Data: < U _            > 98 55 07 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001995F074800, 16 bytes long.
 Data: <pU _            > 70 55 07 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001995F06F9E0, 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 0x000001995F0746C0, 16 bytes long.
 Data: <HU _            > 48 55 07 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001995F075160, 16 bytes long.
 Data: < U _            > 20 55 07 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001995F074940, 16 bytes long.
 Data: <&#248;T _            > F8 54 07 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001995F074E40, 16 bytes long.
 Data: <&#208;T _            > D0 54 07 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001995F075D00, 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 0x000001995F0745D0, 16 bytes long.
 Data: < &#231; _            > 08 E7 05 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001995F06EF60, 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 0x000001995F074DF0, 16 bytes long.
 Data: <&#224;&#230; _            > E0 E6 05 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001995F0748A0, 16 bytes long.
 Data: <&#184;&#230; _            > B8 E6 05 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001995F074710, 16 bytes long.
 Data: < &#230; _            > 90 E6 05 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001995F074DA0, 16 bytes long.
 Data: <h&#230; _            > 68 E6 05 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001995F074350, 16 bytes long.
 Data: <@&#230; _            > 40 E6 05 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001995F0751B0, 16 bytes long.
 Data: < &#230; _            > 18 E6 05 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001995F06F320, 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 0x000001995F074D50, 16 bytes long.
 Data: <&#240;&#229; _            > F0 E5 05 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001995F05E5F0, 320 bytes long.
 Data: <PM _     &#243; _    > 50 4D 07 5F 99 01 00 00 20 F3 06 5F 99 01 00 00 
{275} normal block at 0x000001995F074D00, 16 bytes long.
 Data: <&#176;T _            > B0 54 07 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001995F074C60, 16 bytes long.
 Data: < T _            > 88 54 07 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001995F06FA40, 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 0x000001995F074FD0, 16 bytes long.
 Data: <`T _            > 60 54 07 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001995F06F980, 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 0x000001995F074990, 16 bytes long.
 Data: <&#168;S _            > A8 53 07 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001995F074B70, 16 bytes long.
 Data: < S _            > 80 53 07 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001995F074670, 16 bytes long.
 Data: <XS _            > 58 53 07 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001995F074C10, 16 bytes long.
 Data: <0S _            > 30 53 07 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001995F074A80, 16 bytes long.
 Data: < S _            > 08 53 07 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001995F074BC0, 16 bytes long.
 Data: <&#224;R _            > E0 52 07 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001995F074E90, 16 bytes long.
 Data: <P&#221; _            > 50 DD 06 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001995F06DD50, 40 bytes long.
 Data: < N _     z&#232;`    > 90 4E 07 5F 99 01 00 00 90 7A E8 60 99 01 00 00 
{261} normal block at 0x000001995F074620, 16 bytes long.
 Data: <&#192;R _            > C0 52 07 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001995F074760, 16 bytes long.
 Data: < R _            > 98 52 07 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001995F06F920, 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 0x000001995F074CB0, 16 bytes long.
 Data: <pR _            > 70 52 07 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001995F075270, 992 bytes long.
 Data: <&#176;L _     &#249; _    > B0 4C 07 5F 99 01 00 00 20 F9 06 5F 99 01 00 00 
{93} normal block at 0x000001995F06F7A0, 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 0x000001995F06E030, 16 bytes long.
 Data: <&#224;&#193; _            > E0 C1 05 5F 99 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001995F05C1E0, 40 bytes long.
 Data: <0&#224; _    &#160;&#247; _    > 30 E0 06 5F 99 01 00 00 A0 F7 06 5F 99 01 00 00 
{70} normal block at 0x000001995F06DEF0, 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 0x000001995F06EB70, 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 0x000001995F06E0D0, 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 0x000001995F06E760, 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 0x000001995F06EA80, 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 0x000001995F06ECB0, 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 0x000001995F06E4E0, 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 0x000001995F06E490, 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 0x000001995F06E3F0, 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 0x000001995F06E8A0, 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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