Task 38680849

Name test_463-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND0269_0
Workunit 31622548
Created 27 Oct 2026, 1:56:26 UTC
Sent 27 Oct 2026, 1:56:34 UTC
Report deadline 1 Nov 2026, 1:56:34 UTC
Received 27 Oct 2026, 4:15:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590389
Run time 52 min 35 sec
CPU time 37 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,993.64 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.20 MB
Peak swap size 5.40 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
23:23:50 (8688): wrapper (7.9.26016): starting
23:23:50 (8688): 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
23:23:52 (8688): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:23:52 (8688): 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\Boinc2\slots\4\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\Boinc2\slots\4\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
00:15:00 (8688): C:/Windows/system32/cmd.exe exited; CPU time 2237.484375
00:15:00 (8688): 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: 37277543 bytes.
Dumping objects ->
{3835332} normal block at 0x000001D71F2EEE10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835321} normal block at 0x000001D71F2EEEF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835310} normal block at 0x000001D71F2EF5F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835299} normal block at 0x000001D71F2EEC50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835288} normal block at 0x000001D71F2EEDA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835257} normal block at 0x000001D720DBB3F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x000001D720E1D320, 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) : {3835243} normal block at 0x000001D71F2978D0, 8 bytes long.
 Data: <  & &#215;   > 00 00 26 1F D7 01 00 00 
{3834581} normal block at 0x000001D720E1CCF0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000001D71F297880, 8 bytes long.
 Data: < )&#233; &#215;   > 20 29 E9 20 D7 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001D71F2A0FD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D71F28D7D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001D71F2A2BF0, 16 bytes long.
 Data: <XG* &#215;           > 58 47 2A 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D71F2A29C0, 16 bytes long.
 Data: <0G* &#215;           > 30 47 2A 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D71F29DB10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001D71F2A2DD0, 16 bytes long.
 Data: < G* &#215;           > 08 47 2A 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D71F2A2560, 16 bytes long.
 Data: <&#224;F* &#215;           > E0 46 2A 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D71F2A2920, 16 bytes long.
 Data: <&#184;F* &#215;           > B8 46 2A 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D71F2A25B0, 16 bytes long.
 Data: < F* &#215;           > 90 46 2A 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D71F29C710, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001D71F2A26A0, 16 bytes long.
 Data: <&#232;&#187;( &#215;           > E8 BB 28 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D71F29DE70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001D71F2A2510, 16 bytes long.
 Data: <&#192;&#187;( &#215;           > C0 BB 28 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D71F2A2470, 16 bytes long.
 Data: < &#187;( &#215;           > 98 BB 28 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D71F2A27E0, 16 bytes long.
 Data: <p&#187;( &#215;           > 70 BB 28 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D71F2A2A10, 16 bytes long.
 Data: <H&#187;( &#215;           > 48 BB 28 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D71F2A24C0, 16 bytes long.
 Data: < &#187;( &#215;           > 20 BB 28 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D71F2A2420, 16 bytes long.
 Data: <&#248;&#186;( &#215;           > F8 BA 28 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D71F29DF30, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x000001D71F2A2AB0, 16 bytes long.
 Data: <&#208;&#186;( &#215;           > D0 BA 28 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D71F28BAD0, 320 bytes long.
 Data: <&#176;** &#215;   0&#223;) &#215;   > B0 2A 2A 1F D7 01 00 00 30 DF 29 1F D7 01 00 00 
{270} normal block at 0x000001D71F2A2380, 16 bytes long.
 Data: <pF* &#215;           > 70 46 2A 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D71F2A2330, 16 bytes long.
 Data: <HF* &#215;           > 48 46 2A 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D71F29DDB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001D71F2A22E0, 16 bytes long.
 Data: < F* &#215;           > 20 46 2A 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D71F29DC30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001D71F2A2D30, 16 bytes long.
 Data: <hE* &#215;           > 68 45 2A 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D71F2A2830, 16 bytes long.
 Data: <@E* &#215;           > 40 45 2A 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D71F2A2060, 16 bytes long.
 Data: < E* &#215;           > 18 45 2A 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D71F2A2290, 16 bytes long.
 Data: <&#240;D* &#215;           > F0 44 2A 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D71F2A2BA0, 16 bytes long.
 Data: <&#200;D* &#215;           > C8 44 2A 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D71F2A23D0, 16 bytes long.
 Data: <&#160;D* &#215;           > A0 44 2A 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D71F2A2B00, 16 bytes long.
 Data: <&#192;&#197;) &#215;           > C0 C5 29 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D71F29C5C0, 40 bytes long.
 Data: < +* &#215;   &#240;&#179;&#219; &#215;   > 00 2B 2A 1F D7 01 00 00 F0 B3 DB 20 D7 01 00 00 
{256} normal block at 0x000001D71F2A2150, 16 bytes long.
 Data: < D* &#215;           > 80 44 2A 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001D71F2A2100, 16 bytes long.
 Data: <XD* &#215;           > 58 44 2A 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001D71F29DF90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001D71F2A2650, 16 bytes long.
 Data: <0D* &#215;           > 30 44 2A 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001D71F2A4430, 992 bytes long.
 Data: <P&* &#215;    &#223;) &#215;   > 50 26 2A 1F D7 01 00 00 90 DF 29 1F D7 01 00 00 
{88} normal block at 0x000001D71F29E410, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001D71F297510, 16 bytes long.
 Data: <&#160;&#198;) &#215;           > A0 C6 29 1F D7 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001D71F29C6A0, 40 bytes long.
 Data: < u) &#215;    &#228;) &#215;   > 10 75 29 1F D7 01 00 00 10 E4 29 1F D7 01 00 00 
{65} normal block at 0x000001D71F297CE0, 16 bytes long.
 Data: < &#234;&#246; &#246;           > 80 EA F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D71F298280, 16 bytes long.
 Data: <@&#233;&#246; &#246;           > 40 E9 F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D71F298230, 16 bytes long.
 Data: <&#248;W&#243; &#246;           > F8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D71F297C90, 16 bytes long.
 Data: <&#216;W&#243; &#246;           > D8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D71F2974C0, 16 bytes long.
 Data: <P &#243; &#246;           > 50 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D71F2982D0, 16 bytes long.
 Data: <0 &#243; &#246;           > 30 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D71F297EC0, 16 bytes long.
 Data: <&#224; &#243; &#246;           > E0 02 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001D71F2973D0, 16 bytes long.
 Data: <  &#243; &#246;           > 10 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001D71F297420, 16 bytes long.
 Data: <p &#243; &#246;           > 70 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001D71F297790, 16 bytes long.
 Data: < &#192;&#241; &#246;           > 18 C0 F1 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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