Task 38661802

Name test_480-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND6492_0
Workunit 31605184
Created 24 Oct 2026, 16:20:44 UTC
Sent 24 Oct 2026, 17:43:55 UTC
Report deadline 29 Oct 2026, 17:43:55 UTC
Received 25 Oct 2026, 13:46:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641223
Run time 22 min 12 sec
CPU time 21 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 40,554.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.41 MB
Peak swap size 6.95 GB
Peak disk usage 3.65 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
06:24:03 (5636): wrapper (7.9.26016): starting
06:24:03 (5636): 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
06:24:04 (5636): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:24:04 (5636): 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\0\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\0\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
06:46:11 (5636): C:/Windows/system32/cmd.exe exited; CPU time 1284.968750
06:46:11 (5636): 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: 40740067 bytes.
Dumping objects ->
{3836262} normal block at 0x000001D1150991B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836251} normal block at 0x000001D115098C70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836240} normal block at 0x000001D115098B90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3836229} normal block at 0x000001D1133A1E30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836218} normal block at 0x000001D1133A1DC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3836187} normal block at 0x000001D115046E60, 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) : {3836174} normal block at 0x000001D1133A0560, 8 bytes long.
 Data: <  5 &#209;   > 00 00 35 13 D1 01 00 00 
{3833971} normal block at 0x000001D11339FAC0, 8 bytes long.
 Data: <&#176;&#231;8 &#209;   > B0 E7 38 13 D1 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001D1133980F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001D113399020, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001D1133A7680, 16 bytes long.
 Data: < &#133;: &#209;           > 08 85 3A 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001D1133A7F90, 16 bytes long.
 Data: <&#224;&#132;: &#209;           > E0 84 3A 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001D1133A3770, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001D1133A7EA0, 16 bytes long.
 Data: <&#184;&#132;: &#209;           > B8 84 3A 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D1133A7A40, 16 bytes long.
 Data: < &#132;: &#209;           > 90 84 3A 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D1133A7630, 16 bytes long.
 Data: <h&#132;: &#209;           > 68 84 3A 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D1133A74A0, 16 bytes long.
 Data: <@&#132;: &#209;           > 40 84 3A 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D1133A21B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001D1133A7F40, 16 bytes long.
 Data: <  9 &#209;           > 18 03 39 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D1133A34D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001D1133A7AE0, 16 bytes long.
 Data: <&#240; 9 &#209;           > F0 02 39 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D1133A7C20, 16 bytes long.
 Data: <&#200; 9 &#209;           > C8 02 39 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D1133A7270, 16 bytes long.
 Data: <&#160; 9 &#209;           > A0 02 39 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D1133A7450, 16 bytes long.
 Data: <x 9 &#209;           > 78 02 39 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D1133A7E00, 16 bytes long.
 Data: <P 9 &#209;           > 50 02 39 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D1133A74F0, 16 bytes long.
 Data: <( 9 &#209;           > 28 02 39 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D1133A37D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001D1133A7A90, 16 bytes long.
 Data: <  9 &#209;           > 00 02 39 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D113390200, 320 bytes long.
 Data: < z: &#209;   &#208;7: &#209;   > 90 7A 3A 13 D1 01 00 00 D0 37 3A 13 D1 01 00 00 
{281} normal block at 0x000001D1133A76D0, 16 bytes long.
 Data: < &#132;: &#209;           > 20 84 3A 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D1133A7540, 16 bytes long.
 Data: <&#248;&#131;: &#209;           > F8 83 3A 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D1133A30B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001D1133A73B0, 16 bytes long.
 Data: <&#208;&#131;: &#209;           > D0 83 3A 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D1133A3590, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001D1133A8120, 16 bytes long.
 Data: < &#131;: &#209;           > 18 83 3A 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D1133A7B80, 16 bytes long.
 Data: <&#240;&#130;: &#209;           > F0 82 3A 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D1133A7BD0, 16 bytes long.
 Data: <&#200;&#130;: &#209;           > C8 82 3A 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D1133A7950, 16 bytes long.
 Data: <&#160;&#130;: &#209;           > A0 82 3A 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D1133A7360, 16 bytes long.
 Data: <x&#130;: &#209;           > 78 82 3A 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D1133A7400, 16 bytes long.
 Data: <P&#130;: &#209;           > 50 82 3A 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D1133A7860, 16 bytes long.
 Data: <&#208; : &#209;           > D0 20 3A 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D1133A20D0, 40 bytes long.
 Data: <`x: &#209;   `n  &#209;   > 60 78 3A 13 D1 01 00 00 60 6E 04 15 D1 01 00 00 
{267} normal block at 0x000001D1133A75E0, 16 bytes long.
 Data: <0&#130;: &#209;           > 30 82 3A 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D1133A7D60, 16 bytes long.
 Data: < &#130;: &#209;           > 08 82 3A 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D1133A2ED0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001D1133A7310, 16 bytes long.
 Data: <&#224; : &#209;           > E0 81 3A 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D1133A81E0, 992 bytes long.
 Data: < s: &#209;   &#208;.: &#209;   > 10 73 3A 13 D1 01 00 00 D0 2E 3A 13 D1 01 00 00 
{99} normal block at 0x000001D1133A3470, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001D11339FE30, 16 bytes long.
 Data: <&#160; : &#209;           > A0 1E 3A 13 D1 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001D1133A1EA0, 40 bytes long.
 Data: <0&#254;9 &#209;   p4: &#209;   > 30 FE 39 13 D1 01 00 00 70 34 3A 13 D1 01 00 00 
{76} normal block at 0x000001D11339FF70, 16 bytes long.
 Data: < &#234;&#204;s&#246;           > 80 EA CC 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001D1133A0240, 16 bytes long.
 Data: <@&#233;&#204;s&#246;           > 40 E9 CC 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001D1133A0100, 16 bytes long.
 Data: <&#248;W&#201;s&#246;           > F8 57 C9 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001D1133A0330, 16 bytes long.
 Data: <&#216;W&#201;s&#246;           > D8 57 C9 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001D11339FF20, 16 bytes long.
 Data: <P &#201;s&#246;           > 50 04 C9 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D1133A07E0, 16 bytes long.
 Data: <0 &#201;s&#246;           > 30 04 C9 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D1133A0790, 16 bytes long.
 Data: <&#224; &#201;s&#246;           > E0 02 C9 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D1133A0380, 16 bytes long.
 Data: <  &#201;s&#246;           > 10 04 C9 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D11339FA70, 16 bytes long.
 Data: <p &#201;s&#246;           > 70 04 C9 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D1133A0510, 16 bytes long.
 Data: < &#192;&#199;s&#246;           > 18 C0 C7 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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