Task 38672231

Name test_797-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND3095_0
Workunit 31614393
Created 25 Oct 2026, 22:48:30 UTC
Sent 25 Oct 2026, 22:48:34 UTC
Report deadline 30 Oct 2026, 22:48:34 UTC
Received 25 Oct 2026, 23:20:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639137
Run time 30 min 50 sec
CPU time 28 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,451.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.98 MB
Peak swap size 8.31 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
02:50:26 (51212): wrapper (7.9.26016): starting
02:50:26 (51212): 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
02:50:28 (51212): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:50:28 (51212): 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\10\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\10\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
03:19:44 (51212): C:/Windows/system32/cmd.exe exited; CPU time 1688.359375
03:19:44 (51212): 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: 47680341 bytes.
Dumping objects ->
{3835387} normal block at 0x000002A3B97BDA00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835376} normal block at 0x000002A3B97BD990, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835365} normal block at 0x000002A3B7BB5290, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835354} normal block at 0x000002A3B7BB5220, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835343} normal block at 0x000002A3B7BB5300, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835312} normal block at 0x000002A3B98049B0, 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) : {3835299} normal block at 0x000002A3B7BAE3B0, 8 bytes long.
 Data: <  &#183;&#183;&#163;   > 00 00 B7 B7 A3 02 00 00 
{3833968} normal block at 0x000002A3B7BAD8C0, 8 bytes long.
 Data: <`&#215;&#185;&#183;&#163;   > 60 D7 B9 B7 A3 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002A3B7BB0A90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002A3B7BA6130, 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 0x000002A3B7BB5AE0, 16 bytes long.
 Data: <(m&#187;&#183;&#163;           > 28 6D BB B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002A3B7BB6490, 16 bytes long.
 Data: < m&#187;&#183;&#163;           > 00 6D BB B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002A3B7BB03E0, 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 0x000002A3B7BB5FE0, 16 bytes long.
 Data: <&#216;l&#187;&#183;&#163;           > D8 6C BB B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A3B7BB5C70, 16 bytes long.
 Data: <&#176;l&#187;&#183;&#163;           > B0 6C BB B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A3B7BB68A0, 16 bytes long.
 Data: < l&#187;&#183;&#163;           > 88 6C BB B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002A3B7BB6710, 16 bytes long.
 Data: <`l&#187;&#183;&#163;           > 60 6C BB B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A3B7BB5370, 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 0x000002A3B7BB66C0, 16 bytes long.
 Data: <&#184;&#242;&#185;&#183;&#163;           > B8 F2 B9 B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A3B7BB02C0, 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 0x000002A3B7BB63F0, 16 bytes long.
 Data: < &#242;&#185;&#183;&#163;           > 90 F2 B9 B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A3B7BB6760, 16 bytes long.
 Data: <h&#242;&#185;&#183;&#163;           > 68 F2 B9 B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A3B7BB6030, 16 bytes long.
 Data: <@&#242;&#185;&#183;&#163;           > 40 F2 B9 B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A3B7BB6670, 16 bytes long.
 Data: < &#242;&#185;&#183;&#163;           > 18 F2 B9 B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A3B7BB6620, 16 bytes long.
 Data: <&#240;&#241;&#185;&#183;&#163;           > F0 F1 B9 B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A3B7BB5F90, 16 bytes long.
 Data: <&#200;&#241;&#185;&#183;&#163;           > C8 F1 B9 B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A3B7BB01A0, 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 0x000002A3B7BB6080, 16 bytes long.
 Data: <&#160;&#241;&#185;&#183;&#163;           > A0 F1 B9 B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002A3B7B9F1A0, 320 bytes long.
 Data: < `&#187;&#183;&#163;   &#160; &#187;&#183;&#163;   > 80 60 BB B7 A3 02 00 00 A0 01 BB B7 A3 02 00 00 
{277} normal block at 0x000002A3B7BB60D0, 16 bytes long.
 Data: <@l&#187;&#183;&#163;           > 40 6C BB B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002A3B7BB5A40, 16 bytes long.
 Data: < l&#187;&#183;&#163;           > 18 6C BB B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A3B7BB0140, 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 0x000002A3B7BB63A0, 16 bytes long.
 Data: <&#240;k&#187;&#183;&#163;           > F0 6B BB B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A3B7BAFEA0, 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 0x000002A3B7BB65D0, 16 bytes long.
 Data: <8k&#187;&#183;&#163;           > 38 6B BB B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A3B7BB5E50, 16 bytes long.
 Data: < k&#187;&#183;&#163;           > 10 6B BB B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A3B7BB6940, 16 bytes long.
 Data: <&#232;j&#187;&#183;&#163;           > E8 6A BB B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A3B7BB5F40, 16 bytes long.
 Data: <&#192;j&#187;&#183;&#163;           > C0 6A BB B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A3B7BB5DB0, 16 bytes long.
 Data: < j&#187;&#183;&#163;           > 98 6A BB B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A3B7BB6210, 16 bytes long.
 Data: <pj&#187;&#183;&#163;           > 70 6A BB B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A3B7BB5EF0, 16 bytes long.
 Data: <PT&#187;&#183;&#163;           > 50 54 BB B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A3B7BB5450, 40 bytes long.
 Data: <&#240;^&#187;&#183;&#163;   &#176;I &#185;&#163;   > F0 5E BB B7 A3 02 00 00 B0 49 80 B9 A3 02 00 00 
{263} normal block at 0x000002A3B7BB6580, 16 bytes long.
 Data: <Pj&#187;&#183;&#163;           > 50 6A BB B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A3B7BB6990, 16 bytes long.
 Data: <(j&#187;&#183;&#163;           > 28 6A BB B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A3B7BB00E0, 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 0x000002A3B7BB6350, 16 bytes long.
 Data: < j&#187;&#183;&#163;           > 00 6A BB B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A3B7BB6A00, 992 bytes long.
 Data: <Pc&#187;&#183;&#163;   &#224; &#187;&#183;&#163;   > 50 63 BB B7 A3 02 00 00 E0 00 BB B7 A3 02 00 00 
{95} normal block at 0x000002A3B7BB0380, 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 0x000002A3B7BADAF0, 16 bytes long.
 Data: <&#160;N&#187;&#183;&#163;           > A0 4E BB B7 A3 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002A3B7BB4EA0, 40 bytes long.
 Data: <&#240;&#218;&#186;&#183;&#163;     &#187;&#183;&#163;   > F0 DA BA B7 A3 02 00 00 80 03 BB B7 A3 02 00 00 
{72} normal block at 0x000002A3B7BADA50, 16 bytes long.
 Data: < &#234;S&#210;&#247;           > 80 EA 53 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002A3B7BADE60, 16 bytes long.
 Data: <@&#233;S&#210;&#247;           > 40 E9 53 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002A3B7BADE10, 16 bytes long.
 Data: <&#248;WP&#210;&#247;           > F8 57 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002A3B7BADD20, 16 bytes long.
 Data: <&#216;WP&#210;&#247;           > D8 57 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A3B7BAD870, 16 bytes long.
 Data: <P P&#210;&#247;           > 50 04 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A3B7BAE220, 16 bytes long.
 Data: <0 P&#210;&#247;           > 30 04 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A3B7BADD70, 16 bytes long.
 Data: <&#224; P&#210;&#247;           > E0 02 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A3B7BAE310, 16 bytes long.
 Data: <  P&#210;&#247;           > 10 04 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A3B7BADEB0, 16 bytes long.
 Data: <p P&#210;&#247;           > 70 04 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A3B7BADDC0, 16 bytes long.
 Data: < &#192;N&#210;&#247;           > 18 C0 4E D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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