Task 38675209

Name test_676-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND3088_1
Workunit 31610152
Created 26 Oct 2026, 7:37:24 UTC
Sent 26 Oct 2026, 7:37:40 UTC
Report deadline 31 Oct 2026, 7:37:40 UTC
Received 26 Oct 2026, 8:18:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631893
Run time 34 min 32 sec
CPU time 32 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,670.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.40 MB
Peak swap size 9.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:45:23 (27176): wrapper (7.9.26016): starting
02:45:23 (27176): 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
02:45:24 (27176): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:45:24 (27176): 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\1\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\1\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
03:18:26 (27176): C:/Windows/system32/cmd.exe exited; CPU time 1951.078125
03:18:26 (27176): 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: 31918615 bytes.
Dumping objects ->
{3835441} normal block at 0x00000155F7116A80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835430} normal block at 0x00000155F7116A10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835419} normal block at 0x00000155F7117030, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835408} normal block at 0x00000155F7116B60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835397} normal block at 0x00000155F7116FC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835366} normal block at 0x00000155F8E1DDE0, 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) : {3835353} normal block at 0x00000155F710DF20, 8 bytes long.
 Data: <   &#247;U   > 00 00 0E F7 55 01 00 00 
{3833965} normal block at 0x00000155F710E470, 8 bytes long.
 Data: < &#223; &#247;U   > 90 DF 0F F7 55 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000155F710F1B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000155F7107660, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000155F71174F0, 16 bytes long.
 Data: <H&#134; &#247;U           > 48 86 11 F7 55 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000155F7117F90, 16 bytes long.
 Data: < &#134; &#247;U           > 20 86 11 F7 55 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000155F71101C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000155F7117BD0, 16 bytes long.
 Data: <&#248;&#133; &#247;U           > F8 85 11 F7 55 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000155F71174A0, 16 bytes long.
 Data: <&#208;&#133; &#247;U           > D0 85 11 F7 55 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000155F7117F40, 16 bytes long.
 Data: <&#168;&#133; &#247;U           > A8 85 11 F7 55 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000155F7117860, 16 bytes long.
 Data: < &#133; &#247;U           > 80 85 11 F7 55 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000155F71170A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000155F7117D60, 16 bytes long.
 Data: <&#232;&#250; &#247;U           > E8 FA 0F F7 55 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000155F7110B20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000155F7117EA0, 16 bytes long.
 Data: <&#192;&#250; &#247;U           > C0 FA 0F F7 55 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000155F71178B0, 16 bytes long.
 Data: < &#250; &#247;U           > 98 FA 0F F7 55 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000155F7117B80, 16 bytes long.
 Data: <p&#250; &#247;U           > 70 FA 0F F7 55 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000155F71175E0, 16 bytes long.
 Data: <H&#250; &#247;U           > 48 FA 0F F7 55 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000155F7117CC0, 16 bytes long.
 Data: < &#250; &#247;U           > 20 FA 0F F7 55 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000155F7117E50, 16 bytes long.
 Data: <&#248;&#249; &#247;U           > F8 F9 0F F7 55 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000155F7110A00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000155F7118260, 16 bytes long.
 Data: <&#208;&#249; &#247;U           > D0 F9 0F F7 55 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000155F70FF9D0, 320 bytes long.
 Data: <`&#130; &#247;U      &#247;U   > 60 82 11 F7 55 01 00 00 00 0A 11 F7 55 01 00 00 
{278} normal block at 0x00000155F71182B0, 16 bytes long.
 Data: <`&#133; &#247;U           > 60 85 11 F7 55 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000155F7117A90, 16 bytes long.
 Data: <8&#133; &#247;U           > 38 85 11 F7 55 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000155F71109A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000155F71179A0, 16 bytes long.
 Data: < &#133; &#247;U           > 10 85 11 F7 55 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000155F7110E80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000155F7117400, 16 bytes long.
 Data: <X&#132; &#247;U           > 58 84 11 F7 55 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000155F71179F0, 16 bytes long.
 Data: <0&#132; &#247;U           > 30 84 11 F7 55 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000155F7118210, 16 bytes long.
 Data: < &#132; &#247;U           > 08 84 11 F7 55 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000155F7117A40, 16 bytes long.
 Data: <&#224;&#131; &#247;U           > E0 83 11 F7 55 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000155F7118080, 16 bytes long.
 Data: <&#184;&#131; &#247;U           > B8 83 11 F7 55 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000155F7117D10, 16 bytes long.
 Data: < &#131; &#247;U           > 90 83 11 F7 55 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000155F7117E00, 16 bytes long.
 Data: <&#160;i &#247;U           > A0 69 11 F7 55 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000155F71169A0, 40 bytes long.
 Data: < ~ &#247;U   &#224;&#221;&#225;&#248;U   > 00 7E 11 F7 55 01 00 00 E0 DD E1 F8 55 01 00 00 
{264} normal block at 0x00000155F7117B30, 16 bytes long.
 Data: <p&#131; &#247;U           > 70 83 11 F7 55 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000155F71181C0, 16 bytes long.
 Data: <H&#131; &#247;U           > 48 83 11 F7 55 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000155F71108E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000155F7117810, 16 bytes long.
 Data: < &#131; &#247;U           > 20 83 11 F7 55 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000155F7118320, 992 bytes long.
 Data: < x &#247;U   &#224;  &#247;U   > 10 78 11 F7 55 01 00 00 E0 08 11 F7 55 01 00 00 
{96} normal block at 0x00000155F71107C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000155F710DD40, 16 bytes long.
 Data: < &#206; &#247;U           > 90 CE 0F F7 55 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000155F70FCE90, 40 bytes long.
 Data: <@&#221; &#247;U   &#192;  &#247;U   > 40 DD 10 F7 55 01 00 00 C0 07 11 F7 55 01 00 00 
{73} normal block at 0x00000155F710E9C0, 16 bytes long.
 Data: < &#234;&#192;&#231;&#247;           > 80 EA C0 E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000155F710E0B0, 16 bytes long.
 Data: <@&#233;&#192;&#231;&#247;           > 40 E9 C0 E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000155F710E420, 16 bytes long.
 Data: <&#248;W&#189;&#231;&#247;           > F8 57 BD E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000155F710DBB0, 16 bytes long.
 Data: <&#216;W&#189;&#231;&#247;           > D8 57 BD E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000155F710DB60, 16 bytes long.
 Data: <P &#189;&#231;&#247;           > 50 04 BD E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000155F710DCF0, 16 bytes long.
 Data: <0 &#189;&#231;&#247;           > 30 04 BD E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000155F710E6A0, 16 bytes long.
 Data: <&#224; &#189;&#231;&#247;           > E0 02 BD E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000155F710E3D0, 16 bytes long.
 Data: <  &#189;&#231;&#247;           > 10 04 BD E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000155F710EAB0, 16 bytes long.
 Data: <p &#189;&#231;&#247;           > 70 04 BD E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000155F710E8D0, 16 bytes long.
 Data: < &#192;&#187;&#231;&#247;           > 18 C0 BB E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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