Task 38682638

Name test_796-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND8183_0
Workunit 31624239
Created 27 Oct 2026, 8:30:38 UTC
Sent 27 Oct 2026, 8:30:40 UTC
Report deadline 1 Nov 2026, 8:30:40 UTC
Received 27 Oct 2026, 9:01:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652094
Run time 15 min 26 sec
CPU time 14 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 770.16 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
09:46:32 (43920): wrapper (7.9.26016): starting
09:46:32 (43920): 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
09:46:33 (43920): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:46:33 (43920): 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\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:\ProgramData\BOINC\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
10:01:24 (43920): C:/Windows/system32/cmd.exe exited; CPU time 880.484375
10:01:24 (43920): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 20676982 bytes.
Dumping objects ->
{3835546} normal block at 0x00000173B2D062C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x00000173B2D06250, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x00000173B2D066B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x00000173B2D06790, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x00000173B2D06640, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x00000173B4AA85F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x00000173B4ABE0B0, 85 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) : {3835457} normal block at 0x00000173B2D007D0, 8 bytes long.
 Data: <   &#179;s   > 00 00 1C B3 73 01 00 00 
{3834685} normal block at 0x00000173B4ABDCF0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000173B2D00A50, 8 bytes long.
 Data: <&#160;Y&#179;&#180;s   > A0 59 B3 B4 73 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000173B2D02660, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000173B2CF1410, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000173B2D070E0, 16 bytes long.
 Data: <8}&#208;&#178;s           > 38 7D D0 B2 73 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000173B2D07090, 16 bytes long.
 Data: < }&#208;&#178;s           > 10 7D D0 B2 73 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000173B2D014F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000173B2D07040, 16 bytes long.
 Data: <&#232;|&#208;&#178;s           > E8 7C D0 B2 73 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000173B2D074A0, 16 bytes long.
 Data: <&#192;|&#208;&#178;s           > C0 7C D0 B2 73 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000173B2D06F00, 16 bytes long.
 Data: < |&#208;&#178;s           > 98 7C D0 B2 73 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000173B2D07540, 16 bytes long.
 Data: <p|&#208;&#178;s           > 70 7C D0 B2 73 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000173B2D063A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000173B2D07360, 16 bytes long.
 Data: <H&#254;&#207;&#178;s           > 48 FE CF B2 73 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000173B2D01190, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000173B2D079A0, 16 bytes long.
 Data: < &#254;&#207;&#178;s           > 20 FE CF B2 73 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000173B2D06EB0, 16 bytes long.
 Data: <&#248;&#253;&#207;&#178;s           > F8 FD CF B2 73 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000173B2D06C80, 16 bytes long.
 Data: <&#208;&#253;&#207;&#178;s           > D0 FD CF B2 73 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000173B2D06E10, 16 bytes long.
 Data: <&#168;&#253;&#207;&#178;s           > A8 FD CF B2 73 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000173B2D06C30, 16 bytes long.
 Data: < &#253;&#207;&#178;s           > 80 FD CF B2 73 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000173B2D06BE0, 16 bytes long.
 Data: <X&#253;&#207;&#178;s           > 58 FD CF B2 73 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000173B2D01010, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000173B2D071D0, 16 bytes long.
 Data: <0&#253;&#207;&#178;s           > 30 FD CF B2 73 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000173B2CFFD30, 320 bytes long.
 Data: <&#208;q&#208;&#178;s     &#208;&#178;s   > D0 71 D0 B2 73 01 00 00 10 10 D0 B2 73 01 00 00 
{276} normal block at 0x00000173B2D06FA0, 16 bytes long.
 Data: <P|&#208;&#178;s           > 50 7C D0 B2 73 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000173B2D06D70, 16 bytes long.
 Data: <(|&#208;&#178;s           > 28 7C D0 B2 73 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000173B2D01490, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000173B2D07900, 16 bytes long.
 Data: < |&#208;&#178;s           > 00 7C D0 B2 73 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000173B2D019D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000173B2D07400, 16 bytes long.
 Data: <H{&#208;&#178;s           > 48 7B D0 B2 73 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000173B2D078B0, 16 bytes long.
 Data: < {&#208;&#178;s           > 20 7B D0 B2 73 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000173B2D06E60, 16 bytes long.
 Data: <&#248;z&#208;&#178;s           > F8 7A D0 B2 73 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000173B2D073B0, 16 bytes long.
 Data: <&#208;z&#208;&#178;s           > D0 7A D0 B2 73 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000173B2D07950, 16 bytes long.
 Data: <&#168;z&#208;&#178;s           > A8 7A D0 B2 73 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000173B2D06D20, 16 bytes long.
 Data: < z&#208;&#178;s           > 80 7A D0 B2 73 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000173B2D06FF0, 16 bytes long.
 Data: < a&#208;&#178;s           > 00 61 D0 B2 73 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000173B2D06100, 40 bytes long.
 Data: <&#240;o&#208;&#178;s   &#240;&#133;&#170;&#180;s   > F0 6F D0 B2 73 01 00 00 F0 85 AA B4 73 01 00 00 
{262} normal block at 0x00000173B2D07270, 16 bytes long.
 Data: <`z&#208;&#178;s           > 60 7A D0 B2 73 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000173B2D07310, 16 bytes long.
 Data: <8z&#208;&#178;s           > 38 7A D0 B2 73 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000173B2D016D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000173B2D06F50, 16 bytes long.
 Data: < z&#208;&#178;s           > 10 7A D0 B2 73 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000173B2D07A10, 992 bytes long.
 Data: <Po&#208;&#178;s   &#208; &#208;&#178;s   > 50 6F D0 B2 73 01 00 00 D0 16 D0 B2 73 01 00 00 
{94} normal block at 0x00000173B2D01430, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000173B2D005A0, 16 bytes long.
 Data: <P&#198;&#206;&#178;s           > 50 C6 CE B2 73 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000173B2CEC650, 40 bytes long.
 Data: <&#160; &#208;&#178;s   0 &#208;&#178;s   > A0 05 D0 B2 73 01 00 00 30 14 D0 B2 73 01 00 00 
{71} normal block at 0x00000173B2D00550, 16 bytes long.
 Data: < &#234;w&#175;&#247;           > 80 EA 77 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000173B2D00460, 16 bytes long.
 Data: <@&#233;w&#175;&#247;           > 40 E9 77 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000173B2D00DC0, 16 bytes long.
 Data: <&#248;Wt&#175;&#247;           > F8 57 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000173B2D00370, 16 bytes long.
 Data: <&#216;Wt&#175;&#247;           > D8 57 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000173B2D00B90, 16 bytes long.
 Data: <P t&#175;&#247;           > 50 04 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000173B2D00E60, 16 bytes long.
 Data: <0 t&#175;&#247;           > 30 04 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000173B2D005F0, 16 bytes long.
 Data: <&#224; t&#175;&#247;           > E0 02 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000173B2D008C0, 16 bytes long.
 Data: <  t&#175;&#247;           > 10 04 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000173B2D00050, 16 bytes long.
 Data: <p t&#175;&#247;           > 70 04 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000173B2D00870, 16 bytes long.
 Data: < &#192;r&#175;&#247;           > 18 C0 72 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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