Task 38698785

Name test_198-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND6154_0
Workunit 31639269
Created 3 Nov 2026, 2:29:13 UTC
Sent 3 Nov 2026, 2:29:14 UTC
Report deadline 8 Nov 2026, 2:29:14 UTC
Received 3 Nov 2026, 5:59:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 601458
Run time 2 hours 58 min 54 sec
CPU time 2 hours 56 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 1,130.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 676.99 MB
Peak swap size 6.69 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:01:17 (27508): wrapper (7.9.26016): starting
21:01:17 (27508): 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
21:01:19 (27508): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:01:19 (27508): 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\3\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\3\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
23:58:23 (27508): C:/Windows/system32/cmd.exe exited; CPU time 10586.234375
23:58:23 (27508): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 181709536 bytes.
Dumping objects ->
{3835208} normal block at 0x000001731330C4C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x00000173117648D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x0000017311764470, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835175} normal block at 0x0000017311764780, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835164} normal block at 0x0000017311764710, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835133} normal block at 0x0000017313357AF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835122} normal block at 0x000001731336BA70, 85 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) : {3835119} normal block at 0x000001731175E1A0, 8 bytes long.
 Data: <  $ s   > 00 00 24 13 73 01 00 00 
{3834525} normal block at 0x000001731336B4D0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001731175E7E0, 8 bytes long.
 Data: < I> s   > 80 49 3E 13 73 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000017311760AD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017311755BE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000017311764F00, 16 bytes long.
 Data: <h_v s           > 68 5F 76 11 73 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017311764D70, 16 bytes long.
 Data: <@_v s           > 40 5F 76 11 73 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001731175F900, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000017311765360, 16 bytes long.
 Data: < _v s           > 18 5F 76 11 73 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017311765B80, 16 bytes long.
 Data: <&#240;^v s           > F0 5E 76 11 73 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017311765590, 16 bytes long.
 Data: <&#200;^v s           > C8 5E 76 11 73 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017311765B30, 16 bytes long.
 Data: <&#160;^v s           > A0 5E 76 11 73 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017311764A20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000017311765860, 16 bytes long.
 Data: < &#244;t s           > 08 F4 74 11 73 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001731175F960, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000017311765A90, 16 bytes long.
 Data: <&#224;&#243;t s           > E0 F3 74 11 73 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017311765040, 16 bytes long.
 Data: <&#184;&#243;t s           > B8 F3 74 11 73 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000173117651D0, 16 bytes long.
 Data: < &#243;t s           > 90 F3 74 11 73 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000173117658B0, 16 bytes long.
 Data: <h&#243;t s           > 68 F3 74 11 73 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017311764C80, 16 bytes long.
 Data: <@&#243;t s           > 40 F3 74 11 73 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017311765310, 16 bytes long.
 Data: < &#243;t s           > 18 F3 74 11 73 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001731175F8A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000017311764F50, 16 bytes long.
 Data: <&#240;&#242;t s           > F0 F2 74 11 73 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001731174F2F0, 320 bytes long.
 Data: <POv s   &#160;&#248;u s   > 50 4F 76 11 73 01 00 00 A0 F8 75 11 73 01 00 00 
{271} normal block at 0x0000017311765130, 16 bytes long.
 Data: < ^v s           > 80 5E 76 11 73 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017311764FF0, 16 bytes long.
 Data: <X^v s           > 58 5E 76 11 73 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001731175F180, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000173117652C0, 16 bytes long.
 Data: <0^v s           > 30 5E 76 11 73 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001731175F5A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000017311765810, 16 bytes long.
 Data: <x]v s           > 78 5D 76 11 73 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017311764FA0, 16 bytes long.
 Data: <P]v s           > 50 5D 76 11 73 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017311765450, 16 bytes long.
 Data: <(]v s           > 28 5D 76 11 73 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017311765180, 16 bytes long.
 Data: < ]v s           > 00 5D 76 11 73 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017311765770, 16 bytes long.
 Data: <&#216;\v s           > D8 5C 76 11 73 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017311764E10, 16 bytes long.
 Data: <&#176;\v s           > B0 5C 76 11 73 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017311765270, 16 bytes long.
 Data: <&#224;Dv s           > E0 44 76 11 73 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000173117644E0, 40 bytes long.
 Data: <pRv s   &#240;z5 s   > 70 52 76 11 73 01 00 00 F0 7A 35 13 73 01 00 00 
{257} normal block at 0x00000173117656D0, 16 bytes long.
 Data: < \v s           > 90 5C 76 11 73 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000017311765220, 16 bytes long.
 Data: <h\v s           > 68 5C 76 11 73 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001731175F7E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000017311765950, 16 bytes long.
 Data: <@\v s           > 40 5C 76 11 73 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000017311765C40, 992 bytes long.
 Data: <PYv s   &#224;&#247;u s   > 50 59 76 11 73 01 00 00 E0 F7 75 11 73 01 00 00 
{89} normal block at 0x000001731175F9C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001731175E830, 16 bytes long.
 Data: < &#240;t s           > 10 F0 74 11 73 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001731174F010, 40 bytes long.
 Data: <0&#232;u s   &#192;&#249;u s   > 30 E8 75 11 73 01 00 00 C0 F9 75 11 73 01 00 00 
{66} normal block at 0x000001731175EF60, 16 bytes long.
 Data: < &#234;Hb&#247;           > 80 EA 48 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001731175E2E0, 16 bytes long.
 Data: <@&#233;Hb&#247;           > 40 E9 48 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001731175EF10, 16 bytes long.
 Data: <&#248;WEb&#247;           > F8 57 45 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001731175EA10, 16 bytes long.
 Data: <&#216;WEb&#247;           > D8 57 45 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001731175EE70, 16 bytes long.
 Data: <P Eb&#247;           > 50 04 45 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001731175EB00, 16 bytes long.
 Data: <0 Eb&#247;           > 30 04 45 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001731175EEC0, 16 bytes long.
 Data: <&#224; Eb&#247;           > E0 02 45 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001731175ED30, 16 bytes long.
 Data: <  Eb&#247;           > 10 04 45 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001731175E510, 16 bytes long.
 Data: <p Eb&#247;           > 70 04 45 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001731175E470, 16 bytes long.
 Data: < &#192;Cb&#247;           > 18 C0 43 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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