Task 38686743

Name	test_157-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND9681_0
Workunit	31628162
Created	28 Oct 2026, 4:08:57 UTC
Sent	28 Oct 2026, 4:09:00 UTC
Report deadline	2 Nov 2026, 4:09:00 UTC
Received	28 Oct 2026, 6:40:08 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	631047
Run time	2 hours 1 min 13 sec
CPU time	1 hours 35 min 56 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	14,933.54 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	750.04 MB
Peak swap size	9.21 GB
Peak disk usage	3.77 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:36:39 (22684): wrapper (7.9.26016): starting
13:36:39 (22684): 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
13:36:44 (22684): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:36:44 (22684): 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
15:36:09 (22684): C:/Windows/system32/cmd.exe exited; CPU time 5756.562500
15:36:09 (22684): 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: 95568699 bytes.
Dumping objects ->
{3835555} normal block at 0x00000227648E49F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835544} normal block at 0x00000227648E4980, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x00000227648E4910, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835522} normal block at 0x00000227648E4830, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835511} normal block at 0x00000227648E4750, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835480} normal block at 0x00000227668967B0, 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) : {3835467} normal block at 0x00000227648DEC80, 8 bytes long.
 Data: <   f'   > 00 00 9B 66 27 02 00 00 
{3834045} normal block at 0x00000227648DE140, 8 bytes long.
 Data: <&#176; Ef'   > B0 E8 45 66 27 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000227648E0B60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000227648D5600, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000227648E5770, 16 bytes long.
 Data: < b d'           > 88 62 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000227648E5860, 16 bytes long.
 Data: <`b d'           > 60 62 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000227648DFDD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000227648E5720, 16 bytes long.
 Data: <8b d'           > 38 62 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000227648E5090, 16 bytes long.
 Data: < b d'           > 10 62 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000227648E51D0, 16 bytes long.
 Data: < a d'           > E8 61 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000227648E5040, 16 bytes long.
 Data: <&#192;a d'           > C0 61 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000227648E4520, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000227648E56D0, 16 bytes long.
 Data: <HC d'           > 48 43 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000227648DFAD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000227648E5220, 16 bytes long.
 Data: < C d'           > 20 43 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000227648E5680, 16 bytes long.
 Data: < B d'           > F8 42 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000227648E5D60, 16 bytes long.
 Data: <&#208;B d'           > D0 42 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000227648E54F0, 16 bytes long.
 Data: <&#168;B d'           > A8 42 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000227648E50E0, 16 bytes long.
 Data: < B d'           > 80 42 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000227648E5D10, 16 bytes long.
 Data: <XB d'           > 58 42 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000227648DF470, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000227648E5590, 16 bytes long.
 Data: <0B d'           > 30 42 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000227648E4230, 320 bytes long.
 Data: < U d'   p  d'   > 90 55 8E 64 27 02 00 00 70 F4 8D 64 27 02 00 00 
{273} normal block at 0x00000227648E59F0, 16 bytes long.
 Data: < a d'           > A0 61 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000227648E5C20, 16 bytes long.
 Data: <xa d'           > 78 61 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000227648DFB30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000227648E5630, 16 bytes long.
 Data: <Pa d'           > 50 61 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000227648DF890, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000227648E5400, 16 bytes long.
 Data: < ` d'           > 98 60 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000227648E5E50, 16 bytes long.
 Data: <p` d'           > 70 60 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000227648E55E0, 16 bytes long.
 Data: <H` d'           > 48 60 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000227648E5950, 16 bytes long.
 Data: < ` d'           > 20 60 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000227648E54A0, 16 bytes long.
 Data: < _ d'           > F8 5F 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000227648E5450, 16 bytes long.
 Data: <&#208;_ d'           > D0 5F 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000227648E5310, 16 bytes long.
 Data: <`J d'           > 60 4A 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000227648E4A60, 40 bytes long.
 Data: < S d'   &#176;g f'   > 10 53 8E 64 27 02 00 00 B0 67 89 66 27 02 00 00 
{259} normal block at 0x00000227648E5180, 16 bytes long.
 Data: <&#176;_ d'           > B0 5F 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000227648E53B0, 16 bytes long.
 Data: < _ d'           > 88 5F 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000227648DEED0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000227648E58B0, 16 bytes long.
 Data: <`_ d'           > 60 5F 8E 64 27 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000227648E5F60, 992 bytes long.
 Data: <&#176;X d'   &#208;  d'   > B0 58 8E 64 27 02 00 00 D0 EE 8D 64 27 02 00 00 
{91} normal block at 0x00000227648DF050, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000227648DE0A0, 16 bytes long.
 Data: < @ d'           > E0 40 8D 64 27 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000227648D40E0, 40 bytes long.
 Data: <   d'   P  d'   > A0 E0 8D 64 27 02 00 00 50 F0 8D 64 27 02 00 00 
{66} normal block at 0x00000227648DE960, 16 bytes long.
 Data: <   `            > 80 EA 88 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000227648DEC30, 16 bytes long.
 Data: <@  `            > 40 E9 88 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000227648DE690, 16 bytes long.
 Data: < W `            > F8 57 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000227648DE910, 16 bytes long.
 Data: <&#216;W `            > D8 57 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000227648DE7D0, 16 bytes long.
 Data: <P  `            > 50 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000227648DEBE0, 16 bytes long.
 Data: <0  `            > 30 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000227648DE050, 16 bytes long.
 Data: <   `            > E0 02 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000227648DEE10, 16 bytes long.
 Data: <   `            > 10 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000227648DE820, 16 bytes long.
 Data: <p  `            > 70 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000227648DE0F0, 16 bytes long.
 Data: < &#192; `            > 18 C0 83 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>