Task 38668313

Name test_892-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND4343_1
Workunit 31609029
Created 25 Oct 2026, 11:21:51 UTC
Sent 25 Oct 2026, 11:21:59 UTC
Report deadline 30 Oct 2026, 11:21:59 UTC
Received 25 Oct 2026, 15:57:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623100
Run time 3 hours 47 min 31 sec
CPU time 3 hours 44 min 2 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 774.84 MB
Peak swap size 10.03 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:10:28 (18380): wrapper (7.9.26016): starting
14:10:28 (18380): 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
14:10:30 (18380): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:10:30 (18380): 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
17:57:12 (18380): C:/Windows/system32/cmd.exe exited; CPU time 13442.671875
17:57:12 (18380): 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: 232148687 bytes.
Dumping objects ->
{3835317} normal block at 0x000002288D284FD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835306} normal block at 0x000002288D285200, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x000002288D284F60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835284} normal block at 0x000002288D284E80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x000002288D285580, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835242} normal block at 0x000002288EF17480, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000002288EF2F390, 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) : {3835228} normal block at 0x000002288D27EFB0, 8 bytes long.
 Data: <  %&#141;(   > 00 00 25 8D 28 02 00 00 
{3834592} normal block at 0x000002288EF2F2E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000002288D27F460, 8 bytes long.
 Data: <0&#212;5&#141;(   > 30 D4 35 8D 28 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002288D2815A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002288D275E40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000002288D285AA0, 16 bytes long.
 Data: <xi(&#141;(           > 78 69 28 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002288D2862C0, 16 bytes long.
 Data: <Pi(&#141;(           > 50 69 28 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002288D27E0B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000002288D2858C0, 16 bytes long.
 Data: <(i(&#141;(           > 28 69 28 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002288D2856E0, 16 bytes long.
 Data: < i(&#141;(           > 00 69 28 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002288D286040, 16 bytes long.
 Data: <&#216;h(&#141;(           > D8 68 28 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002288D285CD0, 16 bytes long.
 Data: <&#176;h(&#141;(           > B0 68 28 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002288D2853C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000002288D2865E0, 16 bytes long.
 Data: <8&#143;'&#141;(           > 38 8F 27 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002288D27D450, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000002288D286590, 16 bytes long.
 Data: < &#143;'&#141;(           > 10 8F 27 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002288D285BE0, 16 bytes long.
 Data: <&#232; '&#141;(           > E8 8E 27 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002288D286180, 16 bytes long.
 Data: <&#192; '&#141;(           > C0 8E 27 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002288D285870, 16 bytes long.
 Data: <  '&#141;(           > 98 8E 27 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002288D286090, 16 bytes long.
 Data: <p '&#141;(           > 70 8E 27 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002288D286540, 16 bytes long.
 Data: <H '&#141;(           > 48 8E 27 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002288D27D990, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000002288D285FF0, 16 bytes long.
 Data: <  '&#141;(           > 20 8E 27 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002288D278E20, 320 bytes long.
 Data: <&#240;_(&#141;(    &#217;'&#141;(   > F0 5F 28 8D 28 02 00 00 90 D9 27 8D 28 02 00 00 
{280} normal block at 0x000002288D285E60, 16 bytes long.
 Data: < h(&#141;(           > 90 68 28 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002288D285EB0, 16 bytes long.
 Data: <hh(&#141;(           > 68 68 28 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002288D27DA50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000002288D285D70, 16 bytes long.
 Data: <@h(&#141;(           > 40 68 28 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002288D27E1D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000002288D285FA0, 16 bytes long.
 Data: < g(&#141;(           > 88 67 28 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002288D285F50, 16 bytes long.
 Data: <`g(&#141;(           > 60 67 28 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002288D285C80, 16 bytes long.
 Data: <8g(&#141;(           > 38 67 28 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002288D2864A0, 16 bytes long.
 Data: < g(&#141;(           > 10 67 28 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002288D286270, 16 bytes long.
 Data: <&#232;f(&#141;(           > E8 66 28 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002288D286450, 16 bytes long.
 Data: <&#192;f(&#141;(           > C0 66 28 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002288D286360, 16 bytes long.
 Data: <&#224;R(&#141;(           > E0 52 28 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002288D2852E0, 40 bytes long.
 Data: <`c(&#141;(    t&#241; (   > 60 63 28 8D 28 02 00 00 80 74 F1 8E 28 02 00 00 
{266} normal block at 0x000002288D285C30, 16 bytes long.
 Data: <&#160;f(&#141;(           > A0 66 28 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002288D286130, 16 bytes long.
 Data: <xf(&#141;(           > 78 66 28 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002288D27E170, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000002288D285690, 16 bytes long.
 Data: <Pf(&#141;(           > 50 66 28 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002288D286650, 992 bytes long.
 Data: < V(&#141;(   p&#225;'&#141;(   > 90 56 28 8D 28 02 00 00 70 E1 27 8D 28 02 00 00 
{98} normal block at 0x000002288D27D6F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002288D27FC80, 16 bytes long.
 Data: <&#192;&#225;&&#141;(           > C0 E1 26 8D 28 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002288D26E1C0, 40 bytes long.
 Data: < &#252;'&#141;(   &#240;&#214;'&#141;(   > 80 FC 27 8D 28 02 00 00 F0 D6 27 8D 28 02 00 00 
{75} normal block at 0x000002288D27FB90, 16 bytes long.
 Data: < &#234;6U&#246;           > 80 EA 36 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002288D27F370, 16 bytes long.
 Data: <@&#233;6U&#246;           > 40 E9 36 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002288D27FD70, 16 bytes long.
 Data: <&#248;W3U&#246;           > F8 57 33 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002288D27FC30, 16 bytes long.
 Data: <&#216;W3U&#246;           > D8 57 33 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002288D27F780, 16 bytes long.
 Data: <P 3U&#246;           > 50 04 33 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002288D27F230, 16 bytes long.
 Data: <0 3U&#246;           > 30 04 33 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002288D27FBE0, 16 bytes long.
 Data: <&#224; 3U&#246;           > E0 02 33 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002288D27FE10, 16 bytes long.
 Data: <  3U&#246;           > 10 04 33 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002288D27F050, 16 bytes long.
 Data: <p 3U&#246;           > 70 04 33 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002288D27F5A0, 16 bytes long.
 Data: < &#192;1U&#246;           > 18 C0 31 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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