Task 38664384

Name test_754-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND4890_0
Workunit 31607538
Created 24 Oct 2026, 23:33:18 UTC
Sent 24 Oct 2026, 23:33:29 UTC
Report deadline 29 Oct 2026, 23:33:29 UTC
Received 25 Oct 2026, 1:18:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630396
Run time 1 hours 7 min 33 sec
CPU time 1 hours 2 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,956.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.95 MB
Peak swap size 9.18 GB
Peak disk usage 4.04 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:14:03 (48664): wrapper (7.9.26016): starting
02:14:03 (48664): 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
02:14:06 (48664): Library/usr/bin/tar.exe exited; CPU time 0.046875
02:14:06 (48664): 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\22\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\22\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
02:17:57 (48664): C:/Windows/system32/cmd.exe exited; CPU time 3751.312500
02:17:57 (48664): 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: 73180051 bytes.
Dumping objects ->
{3835467} normal block at 0x0000015F61207E30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x0000015F61207F10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835445} normal block at 0x0000015F61207D50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835434} normal block at 0x0000015F61208060, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835423} normal block at 0x0000015F61207CE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835392} normal block at 0x0000015F63039D30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835381} normal block at 0x0000015F63050660, 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) : {3835378} normal block at 0x0000015F611FED20, 8 bytes long.
 Data: <   a_   > 00 00 1B 61 5F 01 00 00 
{3834657} normal block at 0x0000015F630500E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000015F611FF4A0, 8 bytes long.
 Data: < &#235;-a_   > 80 EB 2D 61 5F 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000015F61201290, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000015F611EF8B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000015F61206E60, 16 bytes long.
 Data: < x a_           > 88 78 20 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000015F61206910, 16 bytes long.
 Data: <`x a_           > 60 78 20 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000015F611FF900, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000015F61206730, 16 bytes long.
 Data: <8x a_           > 38 78 20 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015F61207310, 16 bytes long.
 Data: < x a_           > 10 78 20 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015F61206B90, 16 bytes long.
 Data: <&#232;w a_           > E8 77 20 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015F61206D70, 16 bytes long.
 Data: <&#192;w a_           > C0 77 20 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015F61207B90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000015F61206EB0, 16 bytes long.
 Data: <&#216;&#181; a_           > D8 B5 1E 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015F61200140, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000015F61207180, 16 bytes long.
 Data: <&#176;&#181; a_           > B0 B5 1E 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015F61206F50, 16 bytes long.
 Data: < &#181; a_           > 88 B5 1E 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015F61206820, 16 bytes long.
 Data: <`&#181; a_           > 60 B5 1E 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015F61206B40, 16 bytes long.
 Data: <8&#181; a_           > 38 B5 1E 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015F61206960, 16 bytes long.
 Data: < &#181; a_           > 10 B5 1E 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015F61206AF0, 16 bytes long.
 Data: <&#232;&#180; a_           > E8 B4 1E 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015F611FF720, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000015F612066E0, 16 bytes long.
 Data: <&#192;&#180; a_           > C0 B4 1E 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015F611EB4C0, 320 bytes long.
 Data: <&#224;f a_    &#247; a_   > E0 66 20 61 5F 01 00 00 20 F7 1F 61 5F 01 00 00 
{275} normal block at 0x0000015F61207130, 16 bytes long.
 Data: <&#160;w a_           > A0 77 20 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015F61206C80, 16 bytes long.
 Data: <xw a_           > 78 77 20 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015F611FF660, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000015F61206FA0, 16 bytes long.
 Data: <Pw a_           > 50 77 20 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015F611FFA80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000015F612074A0, 16 bytes long.
 Data: < v a_           > 98 76 20 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015F61206AA0, 16 bytes long.
 Data: <pv a_           > 70 76 20 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015F61206690, 16 bytes long.
 Data: <Hv a_           > 48 76 20 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015F61206E10, 16 bytes long.
 Data: < v a_           > 20 76 20 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015F61206640, 16 bytes long.
 Data: <&#248;u a_           > F8 75 20 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015F61206DC0, 16 bytes long.
 Data: <&#208;u a_           > D0 75 20 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015F61206A00, 16 bytes long.
 Data: <P&#194; a_           > 50 C2 1E 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015F611EC250, 40 bytes long.
 Data: < j a_   0  c_   > 00 6A 20 61 5F 01 00 00 30 9D 03 63 5F 01 00 00 
{261} normal block at 0x0000015F612068C0, 16 bytes long.
 Data: <&#176;u a_           > B0 75 20 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015F61206D20, 16 bytes long.
 Data: < u a_           > 88 75 20 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015F61200440, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000015F61206F00, 16 bytes long.
 Data: <`u a_           > 60 75 20 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015F61207560, 992 bytes long.
 Data: < o a_   @  a_   > 00 6F 20 61 5F 01 00 00 40 04 20 61 5F 01 00 00 
{93} normal block at 0x0000015F611FF780, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000015F611FEE60, 16 bytes long.
 Data: <&#160;&#211; a_           > A0 D3 1E 61 5F 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000015F611ED3A0, 40 bytes long.
 Data: <`&#238; a_    &#247; a_   > 60 EE 1F 61 5F 01 00 00 80 F7 1F 61 5F 01 00 00 
{70} normal block at 0x0000015F611FF090, 16 bytes long.
 Data: < &#234;&#233;&#244;&#247;           > 80 EA E9 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000015F611FEAA0, 16 bytes long.
 Data: <@&#233;&#233;&#244;&#247;           > 40 E9 E9 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000015F611FEBE0, 16 bytes long.
 Data: <&#248;W&#230;&#244;&#247;           > F8 57 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015F611FEA50, 16 bytes long.
 Data: <&#216;W&#230;&#244;&#247;           > D8 57 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015F611FE7D0, 16 bytes long.
 Data: <P &#230;&#244;&#247;           > 50 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015F611FE5F0, 16 bytes long.
 Data: <0 &#230;&#244;&#247;           > 30 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015F611FEC80, 16 bytes long.
 Data: <&#224; &#230;&#244;&#247;           > E0 02 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015F611FEB90, 16 bytes long.
 Data: <  &#230;&#244;&#247;           > 10 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015F611FE910, 16 bytes long.
 Data: <p &#230;&#244;&#247;           > 70 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015F611FEFA0, 16 bytes long.
 Data: < &#192;&#228;&#244;&#247;           > 18 C0 E4 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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