Task 38654647

Name test_890-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND1008_0
Workunit 31598459
Created 24 Oct 2026, 7:40:30 UTC
Sent 24 Oct 2026, 7:40:31 UTC
Report deadline 29 Oct 2026, 7:40:31 UTC
Received 24 Oct 2026, 18:23:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 620057
Run time 47 min 19 sec
CPU time 41 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.71 MB
Peak swap size 5.21 GB
Peak disk usage 3.81 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:44:47 (20336): wrapper (7.9.26016): starting
19:44:47 (20336): 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
19:44:50 (20336): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:44:50 (20336): 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\13\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\13\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
20:30:53 (20336): C:/Windows/system32/cmd.exe exited; CPU time 2486.375000
20:30:53 (20336): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 42291451 bytes.
Dumping objects ->
{3835181} normal block at 0x000001ED0FD83630, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x000001ED0FD83550, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x000001ED0FD834E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835148} normal block at 0x000001ED0FD83390, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x000001ED0FD836A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835106} normal block at 0x000001ED119D45E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835093} normal block at 0x000001ED0FD7BA80, 8 bytes long.
 Data: <  &#139; &#237;   > 00 00 8B 11 ED 01 00 00 
{3833945} normal block at 0x000001ED0FD7B9E0, 8 bytes long.
 Data: <&#160;'&#163; &#237;   > A0 27 A3 11 ED 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001ED0FD70AA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001ED0FD6CE60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001ED0FD84920, 16 bytes long.
 Data: <XO&#216; &#237;           > 58 4F D8 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001ED0FD84060, 16 bytes long.
 Data: <0O&#216; &#237;           > 30 4F D8 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001ED0FD7F410, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001ED0FD84880, 16 bytes long.
 Data: < O&#216; &#237;           > 08 4F D8 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001ED0FD84A10, 16 bytes long.
 Data: <&#224;N&#216; &#237;           > E0 4E D8 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001ED0FD83B60, 16 bytes long.
 Data: <&#184;N&#216; &#237;           > B8 4E D8 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001ED0FD84830, 16 bytes long.
 Data: < N&#216; &#237;           > 90 4E D8 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001ED0FD83710, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001ED0FD83ED0, 16 bytes long.
 Data: < &#242;&#214; &#237;           > 98 F2 D6 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001ED0FD7F5F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001ED0FD846F0, 16 bytes long.
 Data: <p&#242;&#214; &#237;           > 70 F2 D6 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001ED0FD842E0, 16 bytes long.
 Data: <H&#242;&#214; &#237;           > 48 F2 D6 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001ED0FD84600, 16 bytes long.
 Data: < &#242;&#214; &#237;           > 20 F2 D6 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001ED0FD84100, 16 bytes long.
 Data: <&#248;&#241;&#214; &#237;           > F8 F1 D6 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001ED0FD848D0, 16 bytes long.
 Data: <&#208;&#241;&#214; &#237;           > D0 F1 D6 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001ED0FD83F70, 16 bytes long.
 Data: <&#168;&#241;&#214; &#237;           > A8 F1 D6 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001ED0FD7EF90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001ED0FD841A0, 16 bytes long.
 Data: < &#241;&#214; &#237;           > 80 F1 D6 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001ED0FD6F180, 320 bytes long.
 Data: <&#160;A&#216; &#237;    &#239;&#215; &#237;   > A0 41 D8 0F ED 01 00 00 90 EF D7 0F ED 01 00 00 
{268} normal block at 0x000001ED0FD84740, 16 bytes long.
 Data: <pN&#216; &#237;           > 70 4E D8 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001ED0FD845B0, 16 bytes long.
 Data: <HN&#216; &#237;           > 48 4E D8 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001ED0FD7EE70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001ED0FD84560, 16 bytes long.
 Data: < N&#216; &#237;           > 20 4E D8 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001ED0FD7F230, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001ED0FD83D90, 16 bytes long.
 Data: <hM&#216; &#237;           > 68 4D D8 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001ED0FD83AC0, 16 bytes long.
 Data: <@M&#216; &#237;           > 40 4D D8 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001ED0FD83E80, 16 bytes long.
 Data: < M&#216; &#237;           > 18 4D D8 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001ED0FD83C00, 16 bytes long.
 Data: <&#240;L&#216; &#237;           > F0 4C D8 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001ED0FD840B0, 16 bytes long.
 Data: <&#200;L&#216; &#237;           > C8 4C D8 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001ED0FD84420, 16 bytes long.
 Data: <&#160;L&#216; &#237;           > A0 4C D8 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001ED0FD84010, 16 bytes long.
 Data: < 7&#216; &#237;           > 80 37 D8 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001ED0FD83780, 40 bytes long.
 Data: < @&#216; &#237;   &#224;E  &#237;   > 10 40 D8 0F ED 01 00 00 E0 45 9D 11 ED 01 00 00 
{254} normal block at 0x000001ED0FD847E0, 16 bytes long.
 Data: < L&#216; &#237;           > 80 4C D8 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001ED0FD849C0, 16 bytes long.
 Data: <XL&#216; &#237;           > 58 4C D8 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001ED0FD7FA10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001ED0FD83F20, 16 bytes long.
 Data: <0L&#216; &#237;           > 30 4C D8 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001ED0FD84C30, 992 bytes long.
 Data: < ?&#216; &#237;    &#250;&#215; &#237;   > 20 3F D8 0F ED 01 00 00 10 FA D7 0F ED 01 00 00 
{86} normal block at 0x000001ED0FD7F350, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001ED0FD7C570, 16 bytes long.
 Data: < &#232;&#215; &#237;           > 90 E8 D7 0F ED 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001ED0FD7E890, 40 bytes long.
 Data: <p&#197;&#215; &#237;   P&#243;&#215; &#237;   > 70 C5 D7 0F ED 01 00 00 50 F3 D7 0F ED 01 00 00 
{63} normal block at 0x000001ED0FD7BE90, 16 bytes long.
 Data: < &#234; &#225;&#247;           > 80 EA 99 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001ED0FD7C250, 16 bytes long.
 Data: <@&#233; &#225;&#247;           > 40 E9 99 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001ED0FD7C160, 16 bytes long.
 Data: <&#248;W&#150;&#225;&#247;           > F8 57 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001ED0FD7C110, 16 bytes long.
 Data: <&#216;W&#150;&#225;&#247;           > D8 57 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001ED0FD7B990, 16 bytes long.
 Data: <P &#150;&#225;&#247;           > 50 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001ED0FD7BA30, 16 bytes long.
 Data: <0 &#150;&#225;&#247;           > 30 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001ED0FD7C390, 16 bytes long.
 Data: <&#224; &#150;&#225;&#247;           > E0 02 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001ED0FD7BC60, 16 bytes long.
 Data: <  &#150;&#225;&#247;           > 10 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001ED0FD7BEE0, 16 bytes long.
 Data: <p &#150;&#225;&#247;           > 70 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001ED0FD7C480, 16 bytes long.
 Data: < &#192;&#148;&#225;&#247;           > 18 C0 94 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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