Task 38681132

Name test_112-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND1505_0
Workunit 31622814
Created 27 Oct 2026, 2:48:00 UTC
Sent 27 Oct 2026, 2:48:05 UTC
Report deadline 1 Nov 2026, 2:48:05 UTC
Received 27 Oct 2026, 3:32:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629717
Run time 21 min 42 sec
CPU time 20 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 28,388.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.88 MB
Peak swap size 13.05 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
22:11:23 (59784): wrapper (7.9.26016): starting
22:11:23 (59784): 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
22:11:24 (59784): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:11:24 (59784): 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\31\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\31\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
22:31:58 (59784): C:/Windows/system32/cmd.exe exited; CPU time 1208.765625
22:31:58 (59784): 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: 34824405 bytes.
Dumping objects ->
{3835311} normal block at 0x000001DC820FB190, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x000001DC820FAF60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000001DC820FB120, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x000001DC820FAEF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001DC820FA780, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x000001DC8209CF00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001DC820FED50, 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) : {3835222} normal block at 0x000001DC8031F400, 8 bytes long.
 Data: <  } &#220;   > 00 00 7D 80 DC 01 00 00 
{3834575} normal block at 0x000001DC820FF220, 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 0x000001DC8031F310, 8 bytes long.
 Data: <&#160;I &#130;&#220;   > A0 49 14 82 DC 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001DC803169E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001DC80317520, 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 0x000001DC80325EC0, 16 bytes long.
 Data: <&#168;Z2 &#220;           > A8 5A 32 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DC80326550, 16 bytes long.
 Data: < Z2 &#220;           > 80 5A 32 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001DC803207F0, 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 0x000001DC80325D80, 16 bytes long.
 Data: <XZ2 &#220;           > 58 5A 32 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DC80325E20, 16 bytes long.
 Data: <0Z2 &#220;           > 30 5A 32 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001DC803266E0, 16 bytes long.
 Data: < Z2 &#220;           > 08 5A 32 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DC80325E70, 16 bytes long.
 Data: <&#224;Y2 &#220;           > E0 59 32 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DC80323F00, 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 0x000001DC80326910, 16 bytes long.
 Data: <&#232;&#251;0 &#220;           > E8 FB 30 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DC80320850, 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 0x000001DC80326AA0, 16 bytes long.
 Data: <&#192;&#251;0 &#220;           > C0 FB 30 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DC803269B0, 16 bytes long.
 Data: < &#251;0 &#220;           > 98 FB 30 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DC803265A0, 16 bytes long.
 Data: <p&#251;0 &#220;           > 70 FB 30 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DC80326500, 16 bytes long.
 Data: <H&#251;0 &#220;           > 48 FB 30 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DC80326370, 16 bytes long.
 Data: < &#251;0 &#220;           > 20 FB 30 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DC803262D0, 16 bytes long.
 Data: <&#248;&#250;0 &#220;           > F8 FA 30 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DC80320C70, 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 0x000001DC80325D30, 16 bytes long.
 Data: <&#208;&#250;0 &#220;           > D0 FA 30 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DC8030FAD0, 320 bytes long.
 Data: <0]2 &#220;   p 2 &#220;   > 30 5D 32 80 DC 01 00 00 70 0C 32 80 DC 01 00 00 
{276} normal block at 0x000001DC80326640, 16 bytes long.
 Data: <&#192;Y2 &#220;           > C0 59 32 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DC80326AF0, 16 bytes long.
 Data: < Y2 &#220;           > 98 59 32 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DC80320790, 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 0x000001DC80326410, 16 bytes long.
 Data: <pY2 &#220;           > 70 59 32 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DC80320CD0, 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 0x000001DC80326870, 16 bytes long.
 Data: <&#184;X2 &#220;           > B8 58 32 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DC80325DD0, 16 bytes long.
 Data: < X2 &#220;           > 90 58 32 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DC80326320, 16 bytes long.
 Data: <hX2 &#220;           > 68 58 32 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DC803267D0, 16 bytes long.
 Data: <@X2 &#220;           > 40 58 32 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DC803265F0, 16 bytes long.
 Data: < X2 &#220;           > 18 58 32 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DC8031F270, 16 bytes long.
 Data: <&#240;W2 &#220;           > F0 57 32 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DC8031F130, 16 bytes long.
 Data: < >2 &#220;           > 20 3E 32 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DC80323E20, 40 bytes long.
 Data: <0&#241;1 &#220;    &#207;	&#130;&#220;   > 30 F1 31 80 DC 01 00 00 00 CF 09 82 DC 01 00 00 
{262} normal block at 0x000001DC8031EE10, 16 bytes long.
 Data: <&#208;W2 &#220;           > D0 57 32 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DC8031ED20, 16 bytes long.
 Data: <&#168;W2 &#220;           > A8 57 32 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DC8031FF50, 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 0x000001DC8031EC80, 16 bytes long.
 Data: < W2 &#220;           > 80 57 32 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DC80325780, 992 bytes long.
 Data: < &#236;1 &#220;   P&#255;1 &#220;   > 80 EC 31 80 DC 01 00 00 50 FF 31 80 DC 01 00 00 
{94} normal block at 0x000001DC80320AF0, 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 0x000001DC8031F3B0, 16 bytes long.
 Data: <&#176;=2 &#220;           > B0 3D 32 80 DC 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001DC80323DB0, 40 bytes long.
 Data: <&#176;&#243;1 &#220;   &#240; 2 &#220;   > B0 F3 31 80 DC 01 00 00 F0 0A 32 80 DC 01 00 00 
{71} normal block at 0x000001DC8031E640, 16 bytes long.
 Data: < &#234;S&#137;&#246;           > 80 EA 53 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001DC8031E780, 16 bytes long.
 Data: <@&#233;S&#137;&#246;           > 40 E9 53 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001DC8031F2C0, 16 bytes long.
 Data: <&#248;WP&#137;&#246;           > F8 57 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DC8031EF50, 16 bytes long.
 Data: <&#216;WP&#137;&#246;           > D8 57 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DC8031EB90, 16 bytes long.
 Data: <P P&#137;&#246;           > 50 04 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DC8031F450, 16 bytes long.
 Data: <0 P&#137;&#246;           > 30 04 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DC8031ECD0, 16 bytes long.
 Data: <&#224; P&#137;&#246;           > E0 02 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DC8031EB40, 16 bytes long.
 Data: <  P&#137;&#246;           > 10 04 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DC8031F360, 16 bytes long.
 Data: <p P&#137;&#246;           > 70 04 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DC8031EE60, 16 bytes long.
 Data: < &#192;N&#137;&#246;           > 18 C0 4E 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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