Task 38683085

Name test_871-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND6506_0
Workunit 31624665
Created 27 Oct 2026, 10:23:09 UTC
Sent 27 Oct 2026, 10:23:16 UTC
Report deadline 1 Nov 2026, 10:23:16 UTC
Received 27 Oct 2026, 11:52:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 514949
Run time 44 min 31 sec
CPU time 40 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,343.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 675.63 MB
Peak swap size 5.30 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
06:07:57 (13076): wrapper (7.9.26016): starting
06:07:57 (13076): 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
06:07:58 (13076): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:07:58 (13076): 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\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 'D:\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
06:51:46 (13076): C:/Windows/system32/cmd.exe exited; CPU time 2431.359375
06:51:46 (13076): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 41977667 bytes.
Dumping objects ->
{3835319} normal block at 0x0000017AC405B840, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835308} normal block at 0x0000017AC405BCA0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835297} normal block at 0x0000017AC405C090, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835286} normal block at 0x0000017AC258E6D0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x0000017AC258EDD0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835244} normal block at 0x0000017AC40A5DE0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000017AC25E98C0, 135 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) : {3835230} normal block at 0x0000017AC2587AF0, 8 bytes long.
 Data: <  &#225;&#195;z   > 00 00 E1 C3 7A 01 00 00 
{3834589} normal block at 0x0000017AC25E97F0, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000017AC25880E0, 8 bytes long.
 Data: <&#160;&#241; &#196;z   > A0 F1 02 C4 7A 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000017AC2591A00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017AC257B0E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000017AC2592A40, 16 bytes long.
 Data: <&#248;QY&#194;z           > F8 51 59 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017AC2592FE0, 16 bytes long.
 Data: <&#208;QY&#194;z           > D0 51 59 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017AC258D730, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000017AC2593260, 16 bytes long.
 Data: <&#168;QY&#194;z           > A8 51 59 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017AC2592F90, 16 bytes long.
 Data: < QY&#194;z           > 80 51 59 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017AC2592B30, 16 bytes long.
 Data: <XQY&#194;z           > 58 51 59 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017AC25929F0, 16 bytes long.
 Data: <0QY&#194;z           > 30 51 59 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017AC258ECF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000017AC2593170, 16 bytes long.
 Data: <h&#226;X&#194;z           > 68 E2 58 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017AC258CCB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000017AC2592EF0, 16 bytes long.
 Data: <@&#226;X&#194;z           > 40 E2 58 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017AC2593620, 16 bytes long.
 Data: < &#226;X&#194;z           > 18 E2 58 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017AC2592950, 16 bytes long.
 Data: <&#240;&#225;X&#194;z           > F0 E1 58 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017AC2592EA0, 16 bytes long.
 Data: <&#200;&#225;X&#194;z           > C8 E1 58 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017AC2593490, 16 bytes long.
 Data: <&#160;&#225;X&#194;z           > A0 E1 58 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017AC2592BD0, 16 bytes long.
 Data: <x&#225;X&#194;z           > 78 E1 58 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017AC258CC50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000017AC2592F40, 16 bytes long.
 Data: <P&#225;X&#194;z           > 50 E1 58 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017AC258E150, 320 bytes long.
 Data: <@/Y&#194;z   P&#204;X&#194;z   > 40 2F 59 C2 7A 01 00 00 50 CC 58 C2 7A 01 00 00 
{270} normal block at 0x0000017AC25931C0, 16 bytes long.
 Data: < QY&#194;z           > 10 51 59 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017AC2593300, 16 bytes long.
 Data: <&#232;PY&#194;z           > E8 50 59 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017AC258D250, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000017AC2592E00, 16 bytes long.
 Data: <&#192;PY&#194;z           > C0 50 59 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017AC258D6D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000017AC2592DB0, 16 bytes long.
 Data: < PY&#194;z           > 08 50 59 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017AC25929A0, 16 bytes long.
 Data: <&#224;OY&#194;z           > E0 4F 59 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017AC25932B0, 16 bytes long.
 Data: <&#184;OY&#194;z           > B8 4F 59 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017AC25930D0, 16 bytes long.
 Data: < OY&#194;z           > 90 4F 59 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017AC25937B0, 16 bytes long.
 Data: <hOY&#194;z           > 68 4F 59 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017AC2593440, 16 bytes long.
 Data: <@OY&#194;z           > 40 4F 59 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017AC2592C20, 16 bytes long.
 Data: <&#176;&#231;X&#194;z           > B0 E7 58 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000017AC258E7B0, 40 bytes long.
 Data: < ,Y&#194;z   &#224;] &#196;z   > 20 2C 59 C2 7A 01 00 00 E0 5D 0A C4 7A 01 00 00 
{256} normal block at 0x0000017AC2592B80, 16 bytes long.
 Data: < OY&#194;z           > 20 4F 59 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000017AC2593710, 16 bytes long.
 Data: <&#248;NY&#194;z           > F8 4E 59 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000017AC258CBF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000017AC25935D0, 16 bytes long.
 Data: <&#208;NY&#194;z           > D0 4E 59 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000017AC2594ED0, 992 bytes long.
 Data: <&#208;5Y&#194;z   &#240;&#203;X&#194;z   > D0 35 59 C2 7A 01 00 00 F0 CB 58 C2 7A 01 00 00 
{88} normal block at 0x0000017AC258CB30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000017AC2588590, 16 bytes long.
 Data: <&#160;&#235;X&#194;z           > A0 EB 58 C2 7A 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000017AC258EBA0, 40 bytes long.
 Data: < &#133;X&#194;z   0&#203;X&#194;z   > 90 85 58 C2 7A 01 00 00 30 CB 58 C2 7A 01 00 00 
{65} normal block at 0x0000017AC2588450, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017AC25883B0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017AC2588540, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017AC2588090, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017AC25885E0, 16 bytes long.
 Data: <P   &#247;           > 50 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017AC2588040, 16 bytes long.
 Data: <0   &#247;           > 30 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000017AC2587CD0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000017AC2587B40, 16 bytes long.
 Data: <    &#247;           > 10 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000017AC2587DC0, 16 bytes long.
 Data: <p   &#247;           > 70 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000017AC2587FA0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 17 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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