Task 38687927

Name test_548-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND2909_0
Workunit 31629298
Created 28 Oct 2026, 10:36:12 UTC
Sent 28 Oct 2026, 10:36:16 UTC
Report deadline 2 Nov 2026, 10:36:16 UTC
Received 28 Oct 2026, 11:49:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648197
Run time 28 min 50 sec
CPU time 24 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,587.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.42 MB
Peak swap size 5.38 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
12:20:52 (10704): wrapper (7.9.26016): starting
12:20:52 (10704): 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
12:20:53 (10704): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:20:53 (10704): 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\8\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\8\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
12:48:37 (10704): C:/Windows/system32/cmd.exe exited; CPU time 1478.437500
12:48:37 (10704): 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: 23510489 bytes.
Dumping objects ->
{3835282} normal block at 0x000001F3381946C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x000001F338194880, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x000001F336434B50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835249} normal block at 0x000001F336434A00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x000001F336435090, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835207} normal block at 0x000001F33813B680, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001F33814F4D0, 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) : {3835193} normal block at 0x000001F33642F900, 8 bytes long.
 Data: <  &#145;6&#243;   > 00 00 91 36 F3 01 00 00 
{3834569} normal block at 0x000001F33814EBE0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001F33642F720, 8 bytes long.
 Data: <&#208;CC6&#243;   > D0 43 43 36 F3 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F33642D450, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F336426970, 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 0x000001F336435D40, 16 bytes long.
 Data: <&#248;hC6&#243;           > F8 68 43 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F3364359D0, 16 bytes long.
 Data: <&#208;hC6&#243;           > D0 68 43 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F33642FC80, 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 0x000001F336436060, 16 bytes long.
 Data: <&#168;hC6&#243;           > A8 68 43 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F336436240, 16 bytes long.
 Data: < hC6&#243;           > 80 68 43 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F336436510, 16 bytes long.
 Data: <XhC6&#243;           > 58 68 43 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F336435750, 16 bytes long.
 Data: <0hC6&#243;           > 30 68 43 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F336434C30, 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 0x000001F3364361F0, 16 bytes long.
 Data: <&#168;&#231;A6&#243;           > A8 E7 41 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F33642FCE0, 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 0x000001F336435C50, 16 bytes long.
 Data: < &#231;A6&#243;           > 80 E7 41 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F3364357F0, 16 bytes long.
 Data: <X&#231;A6&#243;           > 58 E7 41 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F336436010, 16 bytes long.
 Data: <0&#231;A6&#243;           > 30 E7 41 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F336435700, 16 bytes long.
 Data: < &#231;A6&#243;           > 08 E7 41 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F336436150, 16 bytes long.
 Data: <&#224;&#230;A6&#243;           > E0 E6 41 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F336435660, 16 bytes long.
 Data: <&#184;&#230;A6&#243;           > B8 E6 41 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F33642FC20, 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 0x000001F336436100, 16 bytes long.
 Data: < &#230;A6&#243;           > 90 E6 41 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F33641E690, 320 bytes long.
 Data: < aC6&#243;    &#252;B6&#243;   > 00 61 43 36 F3 01 00 00 20 FC 42 36 F3 01 00 00 
{276} normal block at 0x000001F336435CA0, 16 bytes long.
 Data: < hC6&#243;           > 10 68 43 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F336435610, 16 bytes long.
 Data: <&#232;gC6&#243;           > E8 67 43 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F336430700, 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 0x000001F336435B60, 16 bytes long.
 Data: <&#192;gC6&#243;           > C0 67 43 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F336430A00, 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 0x000001F336435840, 16 bytes long.
 Data: < gC6&#243;           > 08 67 43 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F3364357A0, 16 bytes long.
 Data: <&#224;fC6&#243;           > E0 66 43 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F336435DE0, 16 bytes long.
 Data: <&#184;fC6&#243;           > B8 66 43 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F336435E80, 16 bytes long.
 Data: < fC6&#243;           > 90 66 43 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F3364356B0, 16 bytes long.
 Data: <hfC6&#243;           > 68 66 43 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F3364361A0, 16 bytes long.
 Data: <@fC6&#243;           > 40 66 43 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F3364360B0, 16 bytes long.
 Data: <&#160;LC6&#243;           > A0 4C 43 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F336434CA0, 40 bytes long.
 Data: <&#176;`C6&#243;    &#182; 8&#243;   > B0 60 43 36 F3 01 00 00 80 B6 13 38 F3 01 00 00 
{262} normal block at 0x000001F336436420, 16 bytes long.
 Data: < fC6&#243;           > 20 66 43 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F3364358E0, 16 bytes long.
 Data: <&#248;eC6&#243;           > F8 65 43 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F3364306A0, 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 0x000001F336436290, 16 bytes long.
 Data: <&#208;eC6&#243;           > D0 65 43 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F3364365D0, 992 bytes long.
 Data: < bC6&#243;   &#160; C6&#243;   > 90 62 43 36 F3 01 00 00 A0 06 43 36 F3 01 00 00 
{94} normal block at 0x000001F33642FBC0, 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 0x000001F33642F180, 16 bytes long.
 Data: < &#157;B6&#243;           > 00 9D 42 36 F3 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001F336429D00, 40 bytes long.
 Data: < &#241;B6&#243;   &#192;&#251;B6&#243;   > 80 F1 42 36 F3 01 00 00 C0 FB 42 36 F3 01 00 00 
{71} normal block at 0x000001F33642EBE0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F33642EB90, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F33642EDC0, 16 bytes long.
 Data: <&#248;W&#186; &#246;           > F8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F33642F810, 16 bytes long.
 Data: <&#216;W&#186; &#246;           > D8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F33642FA40, 16 bytes long.
 Data: <P &#186; &#246;           > 50 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F33642F3B0, 16 bytes long.
 Data: <0 &#186; &#246;           > 30 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F33642EB40, 16 bytes long.
 Data: <&#224; &#186; &#246;           > E0 02 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F33642F4A0, 16 bytes long.
 Data: <  &#186; &#246;           > 10 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F33642F220, 16 bytes long.
 Data: <p &#186; &#246;           > 70 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F33642F680, 16 bytes long.
 Data: < &#192;&#184; &#246;           > 18 C0 B8 B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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