Task 38676857

Name	test_299-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND5988_0
Workunit	31618750
Created	26 Oct 2026, 12:32:37 UTC
Sent	26 Oct 2026, 12:32:45 UTC
Report deadline	31 Oct 2026, 12:32:45 UTC
Received	26 Oct 2026, 14:45:22 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	631047
Run time	2 hours 2 min 3 sec
CPU time	1 hours 16 min 21 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	750.59 MB
Peak swap size	9.21 GB
Peak disk usage	3.50 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:43:05 (30708): wrapper (7.9.26016): starting
21:43:05 (30708): 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
21:43:10 (30708): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:43:10 (30708): 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\3\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\3\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: Exiting with failure status due to previous errors
23:42:38 (30708): C:/Windows/system32/cmd.exe exited; CPU time 4581.531250
23:42:38 (30708): 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: 104591823 bytes.
Dumping objects ->
{3835555} normal block at 0x0000019B351D4830, 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 0x0000019B351D4750, 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 0x0000019B351D46E0, 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 0x0000019B351D4590, 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 0x0000019B351D4670, 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 0x0000019B37303FB0, 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 0x0000019B351CE690, 8 bytes long.
 Data: <   5    > 00 00 18 35 9B 01 00 00 
{3834045} normal block at 0x0000019B351CEAA0, 8 bytes long.
 Data: <p&#216; 5    > 70 D8 1B 35 9B 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000019B351CFEE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000019B351C5690, 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 0x0000019B351D5C30, 16 bytes long.
 Data: <Xa 5            > 58 61 1D 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019B351D5D20, 16 bytes long.
 Data: <0a 5            > 30 61 1D 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019B351CF830, 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 0x0000019B351D5AA0, 16 bytes long.
 Data: < a 5            > 08 61 1D 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019B351D5DC0, 16 bytes long.
 Data: < ` 5            > E0 60 1D 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019B351D5690, 16 bytes long.
 Data: <&#184;` 5            > B8 60 1D 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019B351D5BE0, 16 bytes long.
 Data: < ` 5            > 90 60 1D 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000019B351D48A0, 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 0x0000019B351D5B40, 16 bytes long.
 Data: <&#200;  5            > C8 F3 1B 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019B351CF650, 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 0x0000019B351D5050, 16 bytes long.
 Data: <   5            > A0 F3 1B 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019B351D5190, 16 bytes long.
 Data: <x  5            > 78 F3 1B 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019B351D5640, 16 bytes long.
 Data: <P  5            > 50 F3 1B 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019B351D5C80, 16 bytes long.
 Data: <(  5            > 28 F3 1B 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019B351D5000, 16 bytes long.
 Data: <   5            > 00 F3 1B 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019B351D55F0, 16 bytes long.
 Data: <&#216;  5            > D8 F2 1B 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019B351CFBF0, 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 0x0000019B351D51E0, 16 bytes long.
 Data: <&#176;  5            > B0 F2 1B 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019B351BF2B0, 320 bytes long.
 Data: < Q 5       5    > E0 51 1D 35 9B 01 00 00 F0 FB 1C 35 9B 01 00 00 
{273} normal block at 0x0000019B351D5870, 16 bytes long.
 Data: <p` 5            > 70 60 1D 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019B351D5370, 16 bytes long.
 Data: <H` 5            > 48 60 1D 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019B351CFD10, 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 0x0000019B351D54B0, 16 bytes long.
 Data: < ` 5            > 20 60 1D 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019B351CF410, 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 0x0000019B351D55A0, 16 bytes long.
 Data: <h_ 5            > 68 5F 1D 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019B351D5320, 16 bytes long.
 Data: <@_ 5            > 40 5F 1D 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019B351D5A50, 16 bytes long.
 Data: < _ 5            > 18 5F 1D 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019B351D5780, 16 bytes long.
 Data: < ^ 5            > F0 5E 1D 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019B351D5500, 16 bytes long.
 Data: <&#200;^ 5            > C8 5E 1D 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019B351D50A0, 16 bytes long.
 Data: < ^ 5            > A0 5E 1D 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019B351D5B90, 16 bytes long.
 Data: < I 5            > 10 49 1D 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019B351D4910, 40 bytes long.
 Data: < [ 5    &#176;?07    > 90 5B 1D 35 9B 01 00 00 B0 3F 30 37 9B 01 00 00 
{259} normal block at 0x0000019B351D5AF0, 16 bytes long.
 Data: < ^ 5            > 80 5E 1D 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000019B351D4EC0, 16 bytes long.
 Data: <X^ 5            > 58 5E 1D 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000019B351CF770, 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 0x0000019B351D5CD0, 16 bytes long.
 Data: <0^ 5            > 30 5E 1D 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000019B351D5E30, 992 bytes long.
 Data: <&#208;\ 5    p  5    > D0 5C 1D 35 9B 01 00 00 70 F7 1C 35 9B 01 00 00 
{91} normal block at 0x0000019B351CF530, 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 0x0000019B351CE280, 16 bytes long.
 Data: <@  5            > 40 EF 1B 35 9B 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000019B351BEF40, 40 bytes long.
 Data: <   5    0  5    > 80 E2 1C 35 9B 01 00 00 30 F5 1C 35 9B 01 00 00 
{66} normal block at 0x0000019B351CE7D0, 16 bytes long.
 Data: <   `            > 80 EA 88 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019B351CE230, 16 bytes long.
 Data: <@  `            > 40 E9 88 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019B351CED20, 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 0x0000019B351CE0A0, 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 0x0000019B351CEBE0, 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 0x0000019B351CE410, 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 0x0000019B351CE190, 16 bytes long.
 Data: <   `            > E0 02 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000019B351CEB90, 16 bytes long.
 Data: <   `            > 10 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000019B351CEA00, 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 0x0000019B351CEAF0, 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>
]]>