Task 38678602

Name test_933-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND3941_0
Workunit 31620415
Created 26 Oct 2026, 17:55:50 UTC
Sent 26 Oct 2026, 17:55:59 UTC
Report deadline 31 Oct 2026, 17:55:59 UTC
Received 26 Oct 2026, 18:36:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654841
Run time 30 min 50 sec
CPU time 28 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.14 MB
Peak swap size 8.42 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:04:09 (8128): wrapper (7.9.26016): starting
20:04:09 (8128): 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
20:04:11 (8128): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:04:11 (8128): 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 'D:\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 'D:\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
20:34:19 (8128): C:/Windows/system32/cmd.exe exited; CPU time 1717.968750
20:34:19 (8128): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 24962673 bytes.
Dumping objects ->
{3835233} normal block at 0x0000024F79521B90, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x0000024F795212D0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000024F79521570, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x0000024F79521D50, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x0000024F79521880, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x0000024F79614860, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x0000024F79532110, 160 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) : {3835144} normal block at 0x0000024F77908490, 8 bytes long.
 Data: <  3yO   > 00 00 33 79 4F 02 00 00 
{3834543} normal block at 0x0000024F79532C70, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833946} normal block at 0x0000024F779083F0, 8 bytes long.
 Data: < &#229; wO   > 80 E5 9E 77 4F 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000024F77912430, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024F778FB1D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x0000024F77913D80, 16 bytes long.
 Data: <(E&#145;wO           > 28 45 91 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024F77913C90, 16 bytes long.
 Data: < E&#145;wO           > 00 45 91 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024F7790DFB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x0000024F77913420, 16 bytes long.
 Data: <&#216;D&#145;wO           > D8 44 91 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024F77914140, 16 bytes long.
 Data: <&#176;D&#145;wO           > B0 44 91 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024F77913BA0, 16 bytes long.
 Data: < D&#145;wO           > 88 44 91 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024F77913B50, 16 bytes long.
 Data: <`D&#145;wO           > 60 44 91 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024F7790F030, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x0000024F77913AB0, 16 bytes long.
 Data: <&#168;&#221; wO           > A8 DD 8F 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024F7790DE90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x0000024F779132E0, 16 bytes long.
 Data: < &#221; wO           > 80 DD 8F 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024F77914190, 16 bytes long.
 Data: <X&#221; wO           > 58 DD 8F 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024F77913A10, 16 bytes long.
 Data: <0&#221; wO           > 30 DD 8F 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024F77914050, 16 bytes long.
 Data: < &#221; wO           > 08 DD 8F 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024F779140F0, 16 bytes long.
 Data: <&#224;&#220; wO           > E0 DC 8F 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024F77913970, 16 bytes long.
 Data: <&#184;&#220; wO           > B8 DC 8F 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024F7790E190, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x0000024F77913920, 16 bytes long.
 Data: < &#220; wO           > 90 DC 8F 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024F778FDC90, 320 bytes long.
 Data: < 9&#145;wO    &#225; wO   > 20 39 91 77 4F 02 00 00 90 E1 90 77 4F 02 00 00 
{266} normal block at 0x0000024F77913510, 16 bytes long.
 Data: <@D&#145;wO           > 40 44 91 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024F77913C40, 16 bytes long.
 Data: < D&#145;wO           > 18 44 91 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024F7790E970, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x0000024F77913830, 16 bytes long.
 Data: <&#240;C&#145;wO           > F0 43 91 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024F7790DB90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x0000024F77913BF0, 16 bytes long.
 Data: <8C&#145;wO           > 38 43 91 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024F77913240, 16 bytes long.
 Data: < C&#145;wO           > 10 43 91 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024F77913FB0, 16 bytes long.
 Data: <&#232;B&#145;wO           > E8 42 91 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024F77913A60, 16 bytes long.
 Data: <&#192;B&#145;wO           > C0 42 91 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024F77913DD0, 16 bytes long.
 Data: < B&#145;wO           > 98 42 91 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024F77913790, 16 bytes long.
 Data: <pB&#145;wO           > 70 42 91 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000024F779138D0, 16 bytes long.
 Data: < &#237; wO           > 20 ED 90 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000024F7790ED20, 40 bytes long.
 Data: <&#208;8&#145;wO   `HayO   > D0 38 91 77 4F 02 00 00 60 48 61 79 4F 02 00 00 
{252} normal block at 0x0000024F77914000, 16 bytes long.
 Data: <PB&#145;wO           > 50 42 91 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000024F77913F60, 16 bytes long.
 Data: <(B&#145;wO           > 28 42 91 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000024F7790DAD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x0000024F77913380, 16 bytes long.
 Data: < B&#145;wO           > 00 42 91 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x0000024F77914200, 992 bytes long.
 Data: < 3&#145;wO   &#208;&#218; wO   > 80 33 91 77 4F 02 00 00 D0 DA 90 77 4F 02 00 00 
{84} normal block at 0x0000024F7790E4F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x0000024F77907B30, 16 bytes long.
 Data: <&#160;&#240; wO           > A0 F0 90 77 4F 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000024F7790F0A0, 40 bytes long.
 Data: <0{ wO   &#240;&#228; wO   > 30 7B 90 77 4F 02 00 00 F0 E4 90 77 4F 02 00 00 
{61} normal block at 0x0000024F77908350, 16 bytes long.
 Data: < &#234;w&#167;&#246;           > 80 EA 77 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024F77908300, 16 bytes long.
 Data: <@&#233;w&#167;&#246;           > 40 E9 77 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024F779079A0, 16 bytes long.
 Data: <&#248;Wt&#167;&#246;           > F8 57 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024F77907950, 16 bytes long.
 Data: <&#216;Wt&#167;&#246;           > D8 57 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000024F77908210, 16 bytes long.
 Data: <P t&#167;&#246;           > 50 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000024F779077C0, 16 bytes long.
 Data: <0 t&#167;&#246;           > 30 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000024F779081C0, 16 bytes long.
 Data: <&#224; t&#167;&#246;           > E0 02 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000024F779084E0, 16 bytes long.
 Data: <  t&#167;&#246;           > 10 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000024F77908170, 16 bytes long.
 Data: <p t&#167;&#246;           > 70 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000024F77907900, 16 bytes long.
 Data: < &#192;r&#167;&#246;           > 18 C0 72 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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