Task 38699962

Name test_72-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND9790_1
Workunit 31640298
Created 6 Nov 2026, 10:17:53 UTC
Sent 6 Nov 2026, 10:17:58 UTC
Report deadline 11 Nov 2026, 10:17:58 UTC
Received 6 Nov 2026, 12:10:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652185
Run time 1 hours 26 min 54 sec
CPU time 1 hours 24 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,749.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.89 MB
Peak swap size 6.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:43:52 (35284): wrapper (7.9.26016): starting
11:43:52 (35284): 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
11:43:53 (35284): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:43:53 (35284): 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
13:10:12 (35284): C:/Windows/system32/cmd.exe exited; CPU time 5070.484375
13:10:12 (35284): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 80787451 bytes.
Dumping objects ->
{3835231} normal block at 0x00000192653E9B50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x00000192653E93E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x00000192653E90D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835198} normal block at 0x00000192653E8CE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x00000192653E8EA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835156} normal block at 0x0000019266FF52A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835145} normal block at 0x0000019266EFE030, 141 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) : {3835142} normal block at 0x00000192653BDE20, 8 bytes long.
 Data: <  5e&#146;   > 00 00 35 65 92 01 00 00 
{3834545} normal block at 0x0000019266EFE510, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000192653BE1E0, 8 bytes long.
 Data: <P&#218;:e&#146;   > 50 DA 3A 65 92 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000192653C1C30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000192653B6140, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000192653C5E30, 16 bytes long.
 Data: < [<e&#146;           > 08 5B 3C 65 92 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000192653C6560, 16 bytes long.
 Data: <&#224;Z<e&#146;           > E0 5A 3C 65 92 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000192653BF720, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000192653C5ED0, 16 bytes long.
 Data: <&#184;Z<e&#146;           > B8 5A 3C 65 92 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000192653C5FC0, 16 bytes long.
 Data: < Z<e&#146;           > 90 5A 3C 65 92 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000192653C6290, 16 bytes long.
 Data: <hZ<e&#146;           > 68 5A 3C 65 92 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000192653C6830, 16 bytes long.
 Data: <@Z<e&#146;           > 40 5A 3C 65 92 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000192653C3A20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000192653C6510, 16 bytes long.
 Data: <&#184;&#147;;e&#146;           > B8 93 3B 65 92 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000192653BF480, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000192653C61A0, 16 bytes long.
 Data: < &#147;;e&#146;           > 90 93 3B 65 92 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000192653C5DE0, 16 bytes long.
 Data: <h&#147;;e&#146;           > 68 93 3B 65 92 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000192653C6740, 16 bytes long.
 Data: <@&#147;;e&#146;           > 40 93 3B 65 92 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000192653C6470, 16 bytes long.
 Data: < &#147;;e&#146;           > 18 93 3B 65 92 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000192653C6060, 16 bytes long.
 Data: <&#240;&#146;;e&#146;           > F0 92 3B 65 92 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000192653C60B0, 16 bytes long.
 Data: <&#200;&#146;;e&#146;           > C8 92 3B 65 92 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000192653BF6C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000192653C6240, 16 bytes long.
 Data: <&#160;&#146;;e&#146;           > A0 92 3B 65 92 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000192653B92A0, 320 bytes long.
 Data: <@b<e&#146;   &#192;&#246;;e&#146;   > 40 62 3C 65 92 01 00 00 C0 F6 3B 65 92 01 00 00 
{277} normal block at 0x00000192653C6420, 16 bytes long.
 Data: < Z<e&#146;           > 20 5A 3C 65 92 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000192653C66F0, 16 bytes long.
 Data: <&#248;Y<e&#146;           > F8 59 3C 65 92 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000192653BEF40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000192653C6010, 16 bytes long.
 Data: <&#208;Y<e&#146;           > D0 59 3C 65 92 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000192653BF9C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000192653C5F70, 16 bytes long.
 Data: < Y<e&#146;           > 18 59 3C 65 92 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000192653C5D40, 16 bytes long.
 Data: <&#240;X<e&#146;           > F0 58 3C 65 92 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000192653C66A0, 16 bytes long.
 Data: <&#200;X<e&#146;           > C8 58 3C 65 92 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000192653C64C0, 16 bytes long.
 Data: <&#160;X<e&#146;           > A0 58 3C 65 92 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000192653C5D90, 16 bytes long.
 Data: <xX<e&#146;           > 78 58 3C 65 92 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000192653BD600, 16 bytes long.
 Data: <PX<e&#146;           > 50 58 3C 65 92 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000192653BE0F0, 16 bytes long.
 Data: <@@<e&#146;           > 40 40 3C 65 92 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000192653C4040, 40 bytes long.
 Data: <&#240;&#224;;e&#146;   &#160;R&#255;f&#146;   > F0 E0 3B 65 92 01 00 00 A0 52 FF 66 92 01 00 00 
{263} normal block at 0x00000192653BDB00, 16 bytes long.
 Data: <0X<e&#146;           > 30 58 3C 65 92 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000192653BDDD0, 16 bytes long.
 Data: < X<e&#146;           > 08 58 3C 65 92 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000192653BF900, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000192653BE320, 16 bytes long.
 Data: <&#224;W<e&#146;           > E0 57 3C 65 92 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000192653C57E0, 992 bytes long.
 Data: < &#227;;e&#146;    &#249;;e&#146;   > 20 E3 3B 65 92 01 00 00 00 F9 3B 65 92 01 00 00 
{95} normal block at 0x00000192653BF5A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000192653BDD80, 16 bytes long.
 Data: <&#176;9<e&#146;           > B0 39 3C 65 92 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000192653C39B0, 40 bytes long.
 Data: < &#221;;e&#146;   &#160;&#245;;e&#146;   > 80 DD 3B 65 92 01 00 00 A0 F5 3B 65 92 01 00 00 
{72} normal block at 0x00000192653BDCE0, 16 bytes long.
 Data: < &#234;&#130;&#156;&#246;           > 80 EA 82 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000192653BE050, 16 bytes long.
 Data: <@&#233;&#130;&#156;&#246;           > 40 E9 82 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000192653BD830, 16 bytes long.
 Data: <&#248;W &#156;&#246;           > F8 57 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000192653BDA60, 16 bytes long.
 Data: <&#216;W &#156;&#246;           > D8 57 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000192653BDC90, 16 bytes long.
 Data: <P  &#156;&#246;           > 50 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000192653BD970, 16 bytes long.
 Data: <0  &#156;&#246;           > 30 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000192653BD740, 16 bytes long.
 Data: <&#224;  &#156;&#246;           > E0 02 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000192653BD6F0, 16 bytes long.
 Data: <   &#156;&#246;           > 10 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000192653BD5B0, 16 bytes long.
 Data: <p  &#156;&#246;           > 70 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000192653BE460, 16 bytes long.
 Data: < &#192;}&#156;&#246;           > 18 C0 7D 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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