Task 38663576

Name	test_28-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND8780_1
Workunit	31600936
Created	24 Oct 2026, 22:17:05 UTC
Sent	24 Oct 2026, 22:17:09 UTC
Report deadline	29 Oct 2026, 22:17:09 UTC
Received	25 Oct 2026, 2:04:46 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	631047
Run time	2 hours 50 min 40 sec
CPU time	1 hours 16 min 23 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	757.28 MB
Peak swap size	9.22 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:13:00 (17204): wrapper (7.9.26016): starting
08:13:00 (17204): 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
08:13:04 (17204): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:13:04 (17204): 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
11:00:57 (17204): C:/Windows/system32/cmd.exe exited; CPU time 4583.656250
11:00:57 (17204): 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: 130380233 bytes.
Dumping objects ->
{3835555} normal block at 0x0000022D628F4980, 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 0x0000022D628F4910, 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 0x0000022D628F48A0, 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 0x0000022D628F47C0, 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 0x0000022D628F4750, 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 0x0000022D649957B0, 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 0x0000022D628EEC30, 8 bytes long.
 Data: <   b-   > 00 00 E6 62 2D 02 00 00 
{3834045} normal block at 0x0000022D628EE280, 8 bytes long.
 Data: <p&#216; b-   > 70 D8 8D 62 2D 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000022D628F0660, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022D628E5840, 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 0x0000022D628F5550, 16 bytes long.
 Data: <Xa b-           > 58 61 8F 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022D628F51E0, 16 bytes long.
 Data: <0a b-           > 30 61 8F 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022D628EEF90, 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 0x0000022D628F5460, 16 bytes long.
 Data: < a b-           > 08 61 8F 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022D628F53C0, 16 bytes long.
 Data: < ` b-           > E0 60 8F 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022D628F5D20, 16 bytes long.
 Data: <&#184;` b-           > B8 60 8F 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022D628F5C80, 16 bytes long.
 Data: < ` b-           > 90 60 8F 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022D628F4600, 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 0x0000022D628F50F0, 16 bytes long.
 Data: <&#200;  b-           > C8 F3 8D 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022D628EF350, 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 0x0000022D628F4E70, 16 bytes long.
 Data: <   b-           > A0 F3 8D 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022D628F5640, 16 bytes long.
 Data: <x  b-           > 78 F3 8D 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022D628F5320, 16 bytes long.
 Data: <P  b-           > 50 F3 8D 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022D628F5A50, 16 bytes long.
 Data: <(  b-           > 28 F3 8D 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022D628F5960, 16 bytes long.
 Data: <   b-           > 00 F3 8D 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022D628F5A00, 16 bytes long.
 Data: <&#216;  b-           > D8 F2 8D 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022D628EF2F0, 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 0x0000022D628F5500, 16 bytes long.
 Data: <&#176;  b-           > B0 F2 8D 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022D628DF2B0, 320 bytes long.
 Data: < U b-      b-   > 00 55 8F 62 2D 02 00 00 F0 F2 8E 62 2D 02 00 00 
{273} normal block at 0x0000022D628F5910, 16 bytes long.
 Data: <p` b-           > 70 60 8F 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022D628F50A0, 16 bytes long.
 Data: <H` b-           > 48 60 8F 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022D628EFD70, 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 0x0000022D628F57D0, 16 bytes long.
 Data: < ` b-           > 20 60 8F 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022D628EF1D0, 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 0x0000022D628F5280, 16 bytes long.
 Data: <h_ b-           > 68 5F 8F 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022D628F5050, 16 bytes long.
 Data: <@_ b-           > 40 5F 8F 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022D628F4FB0, 16 bytes long.
 Data: < _ b-           > 18 5F 8F 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022D628F54B0, 16 bytes long.
 Data: < ^ b-           > F0 5E 8F 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022D628F5C30, 16 bytes long.
 Data: <&#200;^ b-           > C8 5E 8F 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022D628F5820, 16 bytes long.
 Data: < ^ b-           > A0 5E 8F 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022D628F59B0, 16 bytes long.
 Data: <`J b-           > 60 4A 8F 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022D628F4A60, 40 bytes long.
 Data: <&#176;Y b-   &#176;W d-   > B0 59 8F 62 2D 02 00 00 B0 57 99 64 2D 02 00 00 
{259} normal block at 0x0000022D628F5BE0, 16 bytes long.
 Data: < ^ b-           > 80 5E 8F 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022D628F52D0, 16 bytes long.
 Data: <X^ b-           > 58 5E 8F 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022D628EF230, 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 0x0000022D628F5B90, 16 bytes long.
 Data: <0^ b-           > 30 5E 8F 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000022D628F5E30, 992 bytes long.
 Data: < [ b-   0  b-   > 90 5B 8F 62 2D 02 00 00 30 F2 8E 62 2D 02 00 00 
{91} normal block at 0x0000022D628EFD10, 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 0x0000022D628EE190, 16 bytes long.
 Data: <@  b-           > 40 EF 8D 62 2D 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000022D628DEF40, 40 bytes long.
 Data: <   b-      b-   > 90 E1 8E 62 2D 02 00 00 10 FD 8E 62 2D 02 00 00 
{66} normal block at 0x0000022D628EEAF0, 16 bytes long.
 Data: <                > 80 EA 01 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022D628EE000, 16 bytes long.
 Data: <@               > 40 E9 01 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022D628EE140, 16 bytes long.
 Data: < W              > F8 57 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022D628EE230, 16 bytes long.
 Data: <&#216;W              > D8 57 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022D628EE0F0, 16 bytes long.
 Data: <P               > 50 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022D628EE0A0, 16 bytes long.
 Data: <0               > 30 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022D628EE960, 16 bytes long.
 Data: <                > E0 02 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022D628EE2D0, 16 bytes long.
 Data: <                > 10 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022D628EEAA0, 16 bytes long.
 Data: <p               > 70 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000022D628EDF10, 16 bytes long.
 Data: < &#192;              > 18 C0 FC FA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>