Task 38688629

Name test_719-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND6674_0
Workunit 31629959
Created 28 Oct 2026, 15:14:47 UTC
Sent 28 Oct 2026, 15:14:49 UTC
Report deadline 2 Nov 2026, 15:14:49 UTC
Received 28 Oct 2026, 16:22:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646098
Run time 43 min 41 sec
CPU time 40 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,607.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.88 MB
Peak swap size 8.47 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:39:08 (34996): wrapper (7.9.26016): starting
09:39:08 (34996): 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
09:39:10 (34996): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:39:10 (34996): 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
10:21:24 (34996): C:/Windows/system32/cmd.exe exited; CPU time 2419.625000
10:21:24 (34996): 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: 59287355 bytes.
Dumping objects ->
{3835483} normal block at 0x0000021B3BFBCEA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835472} normal block at 0x0000021B3A2B4970, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835461} normal block at 0x0000021B3A2B4820, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835450} normal block at 0x0000021B3A2B4D60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835439} normal block at 0x0000021B3A2B4CF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835408} normal block at 0x0000021B3C006180, 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) : {3835395} normal block at 0x0000021B3A2B1080, 8 bytes long.
 Data: <  (:    > 00 00 28 3A 1B 02 00 00 
{3833957} normal block at 0x0000021B3A2B0B30, 8 bytes long.
 Data: <&#192;&#214; <    > C0 D6 01 3C 1B 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000021B3A2A6740, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021B3A2A7570, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000021B3A2B5570, 16 bytes long.
 Data: < g+:            > 18 67 2B 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021B3A2B5F20, 16 bytes long.
 Data: <&#240;f+:            > F0 66 2B 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021B3A2B0310, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000021B3A2B6240, 16 bytes long.
 Data: <&#200;f+:            > C8 66 2B 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021B3A2B5E30, 16 bytes long.
 Data: <&#160;f+:            > A0 66 2B 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021B3A2B5BB0, 16 bytes long.
 Data: <xf+:            > 78 66 2B 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021B3A2B5520, 16 bytes long.
 Data: <Pf+:            > 50 66 2B 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021B3A2B4A50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000021B3A2B54D0, 16 bytes long.
 Data: < &#185;):            > 08 B9 29 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021B3A2B01F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000021B3A2B5DE0, 16 bytes long.
 Data: <&#224;&#184;):            > E0 B8 29 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021B3A2B5D90, 16 bytes long.
 Data: <&#184;&#184;):            > B8 B8 29 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021B3A2B57A0, 16 bytes long.
 Data: < &#184;):            > 90 B8 29 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021B3A2B61A0, 16 bytes long.
 Data: <h&#184;):            > 68 B8 29 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021B3A2B5A20, 16 bytes long.
 Data: <@&#184;):            > 40 B8 29 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021B3A2B5CA0, 16 bytes long.
 Data: < &#184;):            > 18 B8 29 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021B3A2B05B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000021B3A2B5FC0, 16 bytes long.
 Data: <&#240;&#183;):            > F0 B7 29 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021B3A29B7F0, 320 bytes long.
 Data: <&#192;_+:    &#176; +:    > C0 5F 2B 3A 1B 02 00 00 B0 05 2B 3A 1B 02 00 00 
{274} normal block at 0x0000021B3A2B5480, 16 bytes long.
 Data: <0f+:            > 30 66 2B 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021B3A2B5D40, 16 bytes long.
 Data: < f+:            > 08 66 2B 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021B3A2AFE30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000021B3A2B6100, 16 bytes long.
 Data: <&#224;e+:            > E0 65 2B 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021B3A2B0130, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000021B3A2B5ED0, 16 bytes long.
 Data: <(e+:            > 28 65 2B 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021B3A2B5A70, 16 bytes long.
 Data: < e+:            > 00 65 2B 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021B3A2B5AC0, 16 bytes long.
 Data: <&#216;d+:            > D8 64 2B 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021B3A2B5C00, 16 bytes long.
 Data: <&#176;d+:            > B0 64 2B 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021B3A2B5840, 16 bytes long.
 Data: < d+:            > 88 64 2B 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021B3A2B5610, 16 bytes long.
 Data: <`d+:            > 60 64 2B 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021B3A2B5660, 16 bytes long.
 Data: < H+:            > 90 48 2B 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021B3A2B4890, 40 bytes long.
 Data: <`V+:     a <    > 60 56 2B 3A 1B 02 00 00 80 61 00 3C 1B 02 00 00 
{260} normal block at 0x0000021B3A2B5CF0, 16 bytes long.
 Data: <@d+:            > 40 64 2B 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021B3A2B5700, 16 bytes long.
 Data: < d+:            > 18 64 2B 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021B3A2B0070, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000021B3A2B5E80, 16 bytes long.
 Data: <&#240;c+:            > F0 63 2B 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021B3A2B63F0, 992 bytes long.
 Data: < ^+:    p +:    > 80 5E 2B 3A 1B 02 00 00 70 00 2B 3A 1B 02 00 00 
{92} normal block at 0x0000021B3A2AFF50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000021B3A2B0E00, 16 bytes long.
 Data: <`&#233;):            > 60 E9 29 3A 1B 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000021B3A29E960, 40 bytes long.
 Data: <  +:    P&#255;*:    > 00 0E 2B 3A 1B 02 00 00 50 FF 2A 3A 1B 02 00 00 
{69} normal block at 0x0000021B3A2B1170, 16 bytes long.
 Data: < &#234;&#173;`&#246;           > 80 EA AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021B3A2B0FE0, 16 bytes long.
 Data: <@&#233;&#173;`&#246;           > 40 E9 AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021B3A2B1670, 16 bytes long.
 Data: <&#248;W&#170;`&#246;           > F8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021B3A2B1030, 16 bytes long.
 Data: <&#216;W&#170;`&#246;           > D8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021B3A2B1530, 16 bytes long.
 Data: <P &#170;`&#246;           > 50 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021B3A2B09A0, 16 bytes long.
 Data: <0 &#170;`&#246;           > 30 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021B3A2B1120, 16 bytes long.
 Data: <&#224; &#170;`&#246;           > E0 02 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021B3A2B15D0, 16 bytes long.
 Data: <  &#170;`&#246;           > 10 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021B3A2B0F90, 16 bytes long.
 Data: <p &#170;`&#246;           > 70 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021B3A2B1210, 16 bytes long.
 Data: < &#192;&#168;`&#246;           > 18 C0 A8 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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