Task 38655296

Name test_881-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND0003_1
Workunit 31599007
Created 24 Oct 2026, 9:26:00 UTC
Sent 24 Oct 2026, 9:26:22 UTC
Report deadline 29 Oct 2026, 9:26:22 UTC
Received 24 Oct 2026, 10:17:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 517637
Run time 46 min 18 sec
CPU time 46 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.70 MB
Peak swap size 9.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
11:28:50 (24952): wrapper (7.9.26016): starting
11:28:50 (24952): 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
11:28:51 (24952): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:28:51 (24952): 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\16\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\16\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
12:15:47 (24952): C:/Windows/system32/cmd.exe exited; CPU time 2778.453125
12:15:47 (24952): 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: 47583471 bytes.
Dumping objects ->
{3835363} normal block at 0x00000245C816AFE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835352} normal block at 0x00000245C816B050, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835341} normal block at 0x00000245C8144F10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835330} normal block at 0x00000245C8144DC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835319} normal block at 0x00000245C8144D50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835288} normal block at 0x00000245C9F96BC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x00000245C9FE8760, 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) : {3835274} normal block at 0x00000245C813F7B0, 8 bytes long.
 Data: <  &#204;&#201;E   > 00 00 CC C9 45 02 00 00 
{3834606} normal block at 0x00000245C9FE88C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x00000245C813EE00, 8 bytes long.
 Data: <`J &#202;E   > 60 4A 02 CA 45 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000245C81415F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000245C8136B30, 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 0x00000245C8146350, 16 bytes long.
 Data: <&#200;h &#200;E           > C8 68 14 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000245C8145C20, 16 bytes long.
 Data: <&#160;h &#200;E           > A0 68 14 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000245C813FDA0, 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 0x00000245C81457C0, 16 bytes long.
 Data: <xh &#200;E           > 78 68 14 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000245C8146120, 16 bytes long.
 Data: <Ph &#200;E           > 50 68 14 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000245C8145AE0, 16 bytes long.
 Data: <(h &#200;E           > 28 68 14 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000245C81458B0, 16 bytes long.
 Data: < h &#200;E           > 00 68 14 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000245C8144F80, 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 0x00000245C8145F40, 16 bytes long.
 Data: < &#232; &#200;E           > 08 E8 13 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000245C8140460, 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 0x00000245C8145A40, 16 bytes long.
 Data: <&#224;&#231; &#200;E           > E0 E7 13 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000245C8145EF0, 16 bytes long.
 Data: <&#184;&#231; &#200;E           > B8 E7 13 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000245C8145E50, 16 bytes long.
 Data: < &#231; &#200;E           > 90 E7 13 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000245C8145900, 16 bytes long.
 Data: <h&#231; &#200;E           > 68 E7 13 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000245C8145E00, 16 bytes long.
 Data: <@&#231; &#200;E           > 40 E7 13 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000245C8145D60, 16 bytes long.
 Data: < &#231; &#200;E           > 18 E7 13 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000245C8140280, 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 0x00000245C8146300, 16 bytes long.
 Data: <&#240;&#230; &#200;E           > F0 E6 13 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000245C813E6F0, 320 bytes long.
 Data: < c &#200;E      &#200;E   > 00 63 14 C8 45 02 00 00 80 02 14 C8 45 02 00 00 
{278} normal block at 0x00000245C81463F0, 16 bytes long.
 Data: <&#224;g &#200;E           > E0 67 14 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000245C8145D10, 16 bytes long.
 Data: <&#184;g &#200;E           > B8 67 14 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000245C8140160, 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 0x00000245C8146170, 16 bytes long.
 Data: < g &#200;E           > 90 67 14 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000245C813FE00, 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 0x00000245C81463A0, 16 bytes long.
 Data: <&#216;f &#200;E           > D8 66 14 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000245C81464E0, 16 bytes long.
 Data: <&#176;f &#200;E           > B0 66 14 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000245C8145810, 16 bytes long.
 Data: < f &#200;E           > 88 66 14 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000245C8145630, 16 bytes long.
 Data: <`f &#200;E           > 60 66 14 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000245C81461C0, 16 bytes long.
 Data: <8f &#200;E           > 38 66 14 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000245C8145CC0, 16 bytes long.
 Data: < f &#200;E           > 10 66 14 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000245C8145C70, 16 bytes long.
 Data: <&#240;O &#200;E           > F0 4F 14 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000245C8144FF0, 40 bytes long.
 Data: <p\ &#200;E   &#192;k&#249;&#201;E   > 70 5C 14 C8 45 02 00 00 C0 6B F9 C9 45 02 00 00 
{264} normal block at 0x00000245C8145EA0, 16 bytes long.
 Data: <&#240;e &#200;E           > F0 65 14 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000245C8146260, 16 bytes long.
 Data: <&#200;e &#200;E           > C8 65 14 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000245C813FF80, 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 0x00000245C81462B0, 16 bytes long.
 Data: <&#160;e &#200;E           > A0 65 14 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000245C81465A0, 992 bytes long.
 Data: <&#176;b &#200;E    &#255; &#200;E   > B0 62 14 C8 45 02 00 00 80 FF 13 C8 45 02 00 00 
{96} normal block at 0x00000245C813FEC0, 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 0x00000245C813ECC0, 16 bytes long.
 Data: <&#224;&#240; &#200;E           > E0 F0 12 C8 45 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000245C812F0E0, 40 bytes long.
 Data: <&#192;&#236; &#200;E   &#192;&#254; &#200;E   > C0 EC 13 C8 45 02 00 00 C0 FE 13 C8 45 02 00 00 
{73} normal block at 0x00000245C813F710, 16 bytes long.
 Data: < &#234;&#217;*&#246;           > 80 EA D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000245C813F350, 16 bytes long.
 Data: <@&#233;&#217;*&#246;           > 40 E9 D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000245C813EB80, 16 bytes long.
 Data: <&#248;W&#214;*&#246;           > F8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000245C813F120, 16 bytes long.
 Data: <&#216;W&#214;*&#246;           > D8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000245C813F440, 16 bytes long.
 Data: <P &#214;*&#246;           > 50 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000245C813F260, 16 bytes long.
 Data: <0 &#214;*&#246;           > 30 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000245C813F800, 16 bytes long.
 Data: <&#224; &#214;*&#246;           > E0 02 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000245C813F990, 16 bytes long.
 Data: <  &#214;*&#246;           > 10 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000245C813F4E0, 16 bytes long.
 Data: <p &#214;*&#246;           > 70 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000245C813EF90, 16 bytes long.
 Data: < &#192;&#212;*&#246;           > 18 C0 D4 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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