Task 38648407

Name test_293-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND6978_0
Workunit 31593111
Created 23 Oct 2026, 20:40:21 UTC
Sent 23 Oct 2026, 21:00:27 UTC
Report deadline 28 Oct 2026, 21:00:27 UTC
Received 23 Oct 2026, 22:10:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618046
Run time 15 min 22 sec
CPU time 13 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 45,115.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.87 MB
Peak swap size 11.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
23:54:28 (30652): wrapper (7.9.26016): starting
23:54:28 (30652): 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
23:54:29 (30652): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:54:29 (30652): 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
00:09:13 (30652): C:/Windows/system32/cmd.exe exited; CPU time 834.937500
00:09:13 (30652): 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: 19418251 bytes.
Dumping objects ->
{3835276} normal block at 0x00000226FDA27780, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x00000226FDA27630, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x00000226FDA276A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835243} normal block at 0x00000226FDA277F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x00000226FDA275C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835201} normal block at 0x00000226FF838AC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x00000226FF850EB0, 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) : {3835187} normal block at 0x00000226FDA1D630, 8 bytes long.
 Data: <  &#158;&#253;&   > 00 00 9E FD 26 02 00 00 
{3834566} normal block at 0x00000226FF850E00, 102 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 0x00000226FDA1D3B0, 8 bytes long.
 Data: <&#208;&#219;&#160;&#253;&   > D0 DB A0 FD 26 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000226FDA215E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000226FDA15B80, 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 0x00000226FDA28B10, 16 bytes long.
 Data: <8 &#162;&#253;&           > 38 90 A2 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000226FDA28070, 16 bytes long.
 Data: <  &#162;&#253;&           > 10 90 A2 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000226FDA1FB10, 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 0x00000226FDA28A70, 16 bytes long.
 Data: <&#232; &#162;&#253;&           > E8 8F A2 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000226FDA284D0, 16 bytes long.
 Data: <&#192; &#162;&#253;&           > C0 8F A2 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000226FDA282A0, 16 bytes long.
 Data: <  &#162;&#253;&           > 98 8F A2 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000226FDA28390, 16 bytes long.
 Data: <p &#162;&#253;&           > 70 8F A2 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000226FDA27940, 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 0x00000226FDA281B0, 16 bytes long.
 Data: <&#248; &#161;&#253;&           > F8 8D A1 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000226FDA1F570, 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 0x00000226FDA28A20, 16 bytes long.
 Data: <&#208; &#161;&#253;&           > D0 8D A1 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000226FDA28CA0, 16 bytes long.
 Data: <&#168; &#161;&#253;&           > A8 8D A1 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000226FDA27F80, 16 bytes long.
 Data: <  &#161;&#253;&           > 80 8D A1 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000226FDA287A0, 16 bytes long.
 Data: <X &#161;&#253;&           > 58 8D A1 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000226FDA28430, 16 bytes long.
 Data: <0 &#161;&#253;&           > 30 8D A1 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000226FDA283E0, 16 bytes long.
 Data: <  &#161;&#253;&           > 08 8D A1 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000226FDA1EEB0, 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 0x00000226FDA28110, 16 bytes long.
 Data: <&#224;&#140;&#161;&#253;&           > E0 8C A1 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000226FDA18CE0, 320 bytes long.
 Data: <  &#162;&#253;&   &#176;&#238;&#161;&#253;&   > 10 81 A2 FD 26 02 00 00 B0 EE A1 FD 26 02 00 00 
{276} normal block at 0x00000226FDA28610, 16 bytes long.
 Data: <P &#162;&#253;&           > 50 8F A2 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000226FDA280C0, 16 bytes long.
 Data: <( &#162;&#253;&           > 28 8F A2 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000226FDA1F8D0, 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 0x00000226FDA28570, 16 bytes long.
 Data: <  &#162;&#253;&           > 00 8F A2 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000226FDA1F270, 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 0x00000226FDA28520, 16 bytes long.
 Data: <H&#142;&#162;&#253;&           > 48 8E A2 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000226FDA28480, 16 bytes long.
 Data: < &#142;&#162;&#253;&           > 20 8E A2 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000226FDA27E90, 16 bytes long.
 Data: <&#248; &#162;&#253;&           > F8 8D A2 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000226FDA28340, 16 bytes long.
 Data: <&#208; &#162;&#253;&           > D0 8D A2 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000226FDA27E40, 16 bytes long.
 Data: <&#168; &#162;&#253;&           > A8 8D A2 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000226FDA28AC0, 16 bytes long.
 Data: <  &#162;&#253;&           > 80 8D A2 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000226FDA287F0, 16 bytes long.
 Data: <Pu&#162;&#253;&           > 50 75 A2 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000226FDA27550, 40 bytes long.
 Data: <&#240;&#135;&#162;&#253;&   &#192;&#138;&#131;&#255;&   > F0 87 A2 FD 26 02 00 00 C0 8A 83 FF 26 02 00 00 
{262} normal block at 0x00000226FDA27DF0, 16 bytes long.
 Data: <` &#162;&#253;&           > 60 8D A2 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000226FDA27F30, 16 bytes long.
 Data: <8 &#162;&#253;&           > 38 8D A2 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000226FDA1F7B0, 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 0x00000226FDA28C00, 16 bytes long.
 Data: <  &#162;&#253;&           > 10 8D A2 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000226FDA28D10, 992 bytes long.
 Data: < &#140;&#162;&#253;&   &#176;&#247;&#161;&#253;&   > 00 8C A2 FD 26 02 00 00 B0 F7 A1 FD 26 02 00 00 
{94} normal block at 0x00000226FDA1F750, 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 0x00000226FDA1DE00, 16 bytes long.
 Data: < &#243;&#160;&#253;&           > 20 F3 A0 FD 26 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000226FDA0F320, 40 bytes long.
 Data: < &#222;&#161;&#253;&   P&#247;&#161;&#253;&   > 00 DE A1 FD 26 02 00 00 50 F7 A1 FD 26 02 00 00 
{71} normal block at 0x00000226FDA1CFF0, 16 bytes long.
 Data: < &#234;:&#161;&#246;           > 80 EA 3A A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000226FDA1DCC0, 16 bytes long.
 Data: <@&#233;:&#161;&#246;           > 40 E9 3A A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000226FDA1D130, 16 bytes long.
 Data: <&#248;W7&#161;&#246;           > F8 57 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000226FDA1CFA0, 16 bytes long.
 Data: <&#216;W7&#161;&#246;           > D8 57 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000226FDA1D4F0, 16 bytes long.
 Data: <P 7&#161;&#246;           > 50 04 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000226FDA1D900, 16 bytes long.
 Data: <0 7&#161;&#246;           > 30 04 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000226FDA1D6D0, 16 bytes long.
 Data: <&#224; 7&#161;&#246;           > E0 02 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000226FDA1DC20, 16 bytes long.
 Data: <  7&#161;&#246;           > 10 04 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000226FDA1D090, 16 bytes long.
 Data: <p 7&#161;&#246;           > 70 04 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000226FDA1D4A0, 16 bytes long.
 Data: < &#192;5&#161;&#246;           > 18 C0 35 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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