Task 38687889

Name test_793-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND9103_0
Workunit 31629260
Created 28 Oct 2026, 10:21:45 UTC
Sent 28 Oct 2026, 10:21:45 UTC
Report deadline 2 Nov 2026, 10:21:45 UTC
Received 28 Oct 2026, 11:16:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653368
Run time 34 min 10 sec
CPU time
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.86 MB
Peak swap size 12.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:42:14 (22840): wrapper (7.9.26016): starting
10:42:14 (22840): 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
10:42:15 (22840): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:42:15 (22840): 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:\BOINC2\slots\0\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:\BOINC2\slots\0\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
11:15:33 (22840): C:/Windows/system32/cmd.exe exited; CPU time 1998.125000
11:15:33 (22840): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 37388947 bytes.
Dumping objects ->
{3835234} normal block at 0x0000022A41D02E10, 48 bytes long.
 Data: <PATH=C:\BOINC2\s> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835223} normal block at 0x0000022A43B4EC20, 32 bytes long.
 Data: <HOME=C:\BOINC2\s> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835212} normal block at 0x0000022A43B4F880, 32 bytes long.
 Data: <TMP=C:\BOINC2\sl> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 6C 
{3835201} normal block at 0x0000022A43B4EEC0, 32 bytes long.
 Data: <TEMP=C:\BOINC2\s> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835190} normal block at 0x0000022A43B4EE60, 32 bytes long.
 Data: <TMPDIR=C:\BOINC2> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 32 
{3835159} normal block at 0x0000022A41D02B00, 48 bytes long.
 Data: <PATH=C:\BOINC2\s> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835148} normal block at 0x0000022A43B1C5B0, 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) : {3835145} normal block at 0x0000022A41CFCE70, 8 bytes long.
 Data: <  &#205;A*   > 00 00 CD 41 2A 02 00 00 
{3834543} normal block at 0x0000022A43B1D0B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000022A41CFCDD0, 8 bytes long.
 Data: <p&#232;&#161;C*   > 70 E8 A1 43 2A 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000022A41CFF480, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022A41CF5E20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000022A41D037F0, 16 bytes long.
 Data: <XG&#208;A*           > 58 47 D0 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022A41D03DE0, 16 bytes long.
 Data: <0G&#208;A*           > 30 47 D0 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022A41CFDED0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000022A41D03250, 16 bytes long.
 Data: < G&#208;A*           > 08 47 D0 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022A41D037A0, 16 bytes long.
 Data: <&#224;F&#208;A*           > E0 46 D0 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022A41D03BB0, 16 bytes long.
 Data: <&#184;F&#208;A*           > B8 46 D0 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022A41D03D90, 16 bytes long.
 Data: < F&#208;A*           > 90 46 D0 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022A41D02C50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000022A41D03430, 16 bytes long.
 Data: <&#200;&#198;&#207;A*           > C8 C6 CF 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022A41CFDBD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000022A41D03750, 16 bytes long.
 Data: <&#160;&#198;&#207;A*           > A0 C6 CF 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022A41D03AC0, 16 bytes long.
 Data: <x&#198;&#207;A*           > 78 C6 CF 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022A41D036B0, 16 bytes long.
 Data: <P&#198;&#207;A*           > 50 C6 CF 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022A41D03340, 16 bytes long.
 Data: <(&#198;&#207;A*           > 28 C6 CF 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022A41D033E0, 16 bytes long.
 Data: < &#198;&#207;A*           > 00 C6 CF 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022A41D03A70, 16 bytes long.
 Data: <&#216;&#197;&#207;A*           > D8 C5 CF 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022A41CFE830, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000022A41D03B60, 16 bytes long.
 Data: <&#176;&#197;&#207;A*           > B0 C5 CF 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022A41CFC5B0, 320 bytes long.
 Data: <`;&#208;A*   0&#232;&#207;A*   > 60 3B D0 41 2A 02 00 00 30 E8 CF 41 2A 02 00 00 
{277} normal block at 0x0000022A41D03660, 16 bytes long.
 Data: <pF&#208;A*           > 70 46 D0 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022A41D03C50, 16 bytes long.
 Data: <HF&#208;A*           > 48 46 D0 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022A41CFE530, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000022A41D030C0, 16 bytes long.
 Data: < F&#208;A*           > 20 46 D0 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022A41CFE410, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000022A41D032F0, 16 bytes long.
 Data: <hE&#208;A*           > 68 45 D0 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022A41D032A0, 16 bytes long.
 Data: <@E&#208;A*           > 40 45 D0 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022A41D03200, 16 bytes long.
 Data: < E&#208;A*           > 18 45 D0 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022A41D039D0, 16 bytes long.
 Data: <&#240;D&#208;A*           > F0 44 D0 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022A41D03CA0, 16 bytes long.
 Data: <&#200;D&#208;A*           > C8 44 D0 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022A41D03520, 16 bytes long.
 Data: <&#160;D&#208;A*           > A0 44 D0 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022A41D03700, 16 bytes long.
 Data: <`(&#208;A*           > 60 28 D0 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022A41D02860, 40 bytes long.
 Data: < 7&#208;A*    +&#208;A*   > 00 37 D0 41 2A 02 00 00 00 2B D0 41 2A 02 00 00 
{263} normal block at 0x0000022A41D03B10, 16 bytes long.
 Data: < D&#208;A*           > 80 44 D0 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022A41D03070, 16 bytes long.
 Data: <XD&#208;A*           > 58 44 D0 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022A41CFDB70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000022A41D03FC0, 16 bytes long.
 Data: <0D&#208;A*           > 30 44 D0 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022A41D04430, 992 bytes long.
 Data: <&#192;?&#208;A*   p&#219;&#207;A*   > C0 3F D0 41 2A 02 00 00 70 DB CF 41 2A 02 00 00 
{95} normal block at 0x0000022A41CFE110, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000022A41CFD500, 16 bytes long.
 Data: <0&#238;&#206;A*           > 30 EE CE 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000022A41CEEE30, 40 bytes long.
 Data: < &#213;&#207;A*    &#225;&#207;A*   > 00 D5 CF 41 2A 02 00 00 10 E1 CF 41 2A 02 00 00 
{72} normal block at 0x0000022A41CFCBF0, 16 bytes long.
 Data: < &#234; &#213;&#247;           > 80 EA 02 D5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022A41CFCD80, 16 bytes long.
 Data: <@&#233; &#213;&#247;           > 40 E9 02 D5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022A41CFD820, 16 bytes long.
 Data: <&#248;W&#255;&#212;&#247;           > F8 57 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022A41CFCF10, 16 bytes long.
 Data: <&#216;W&#255;&#212;&#247;           > D8 57 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022A41CFD320, 16 bytes long.
 Data: <P &#255;&#212;&#247;           > 50 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022A41CFD7D0, 16 bytes long.
 Data: <0 &#255;&#212;&#247;           > 30 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022A41CFCCE0, 16 bytes long.
 Data: <&#224; &#255;&#212;&#247;           > E0 02 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022A41CFCD30, 16 bytes long.
 Data: <  &#255;&#212;&#247;           > 10 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022A41CFCBA0, 16 bytes long.
 Data: <p &#255;&#212;&#247;           > 70 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022A41CFC9C0, 16 bytes long.
 Data: < &#192;&#253;&#212;&#247;           > 18 C0 FD D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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