Task 38668024

Name test_909-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND7100_1
Workunit 31610578
Created 25 Oct 2026, 10:21:03 UTC
Sent 25 Oct 2026, 10:21:10 UTC
Report deadline 30 Oct 2026, 10:21:10 UTC
Received 25 Oct 2026, 11:12:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464557
Run time 28 min 16 sec
CPU time 26 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,072.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 677.45 MB
Peak swap size 3.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:44:13 (6568): wrapper (7.9.26016): starting
11:44:13 (6568): 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
11:44:14 (6568): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:44:14 (6568): 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:\BOINC\ProgramData\slots\2\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:\BOINC\ProgramData\slots\2\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
12:11:27 (6568): C:/Windows/system32/cmd.exe exited; CPU time 1610.718750
12:11:27 (6568): 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: 19904947 bytes.
Dumping objects ->
{3835241} normal block at 0x000001A931C01820, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835230} normal block at 0x000001A931C01040, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835219} normal block at 0x000001A931C00E80, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835208} normal block at 0x000001A931C00FD0, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835197} normal block at 0x000001A931C00CC0, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835166} normal block at 0x000001A931CACD90, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835155} normal block at 0x000001A931DC5180, 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) : {3835152} normal block at 0x000001A9301A73B0, 8 bytes long.
 Data: <  &#170;1&#169;   > 00 00 AA 31 A9 01 00 00 
{3834548} normal block at 0x000001A931DC5340, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001A9301A75E0, 8 bytes long.
 Data: <&#224;Z&#192;1&#169;   > E0 5A C0 31 A9 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001A9301B20A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A930196300, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001A9301B39F0, 16 bytes long.
 Data: <HC 0&#169;           > 48 43 1B 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A9301B39A0, 16 bytes long.
 Data: < C 0&#169;           > 20 43 1B 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A9301AC650, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001A9301B3D60, 16 bytes long.
 Data: <&#248;B 0&#169;           > F8 42 1B 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A9301B36D0, 16 bytes long.
 Data: <&#208;B 0&#169;           > D0 42 1B 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A9301B3590, 16 bytes long.
 Data: <&#168;B 0&#169;           > A8 42 1B 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A9301B34F0, 16 bytes long.
 Data: < B 0&#169;           > 80 42 1B 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A9301AE1D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001A9301B34A0, 16 bytes long.
 Data: < b 0&#169;           > 98 62 19 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A9301ABC90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001A9301B3450, 16 bytes long.
 Data: <pb 0&#169;           > 70 62 19 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A9301B33B0, 16 bytes long.
 Data: <Hb 0&#169;           > 48 62 19 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A9301B3E00, 16 bytes long.
 Data: < b 0&#169;           > 20 62 19 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A9301B3860, 16 bytes long.
 Data: <&#248;a 0&#169;           > F8 61 19 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A9301B3CC0, 16 bytes long.
 Data: <&#208;a 0&#169;           > D0 61 19 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A9301B3270, 16 bytes long.
 Data: <&#168;a 0&#169;           > A8 61 19 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A9301ABC30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001A9301B3220, 16 bytes long.
 Data: < a 0&#169;           > 80 61 19 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A930196180, 320 bytes long.
 Data: < 2 0&#169;   0&#188; 0&#169;   > 20 32 1B 30 A9 01 00 00 30 BC 1A 30 A9 01 00 00 
{271} normal block at 0x000001A9301B3090, 16 bytes long.
 Data: <`B 0&#169;           > 60 42 1B 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A9301B3900, 16 bytes long.
 Data: <8B 0&#169;           > 38 42 1B 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A9301ABAB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001A9301B3770, 16 bytes long.
 Data: < B 0&#169;           > 10 42 1B 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A9301AC230, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001A9301B3180, 16 bytes long.
 Data: <XA 0&#169;           > 58 41 1B 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A9301B3B80, 16 bytes long.
 Data: <0A 0&#169;           > 30 41 1B 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A9301B3AE0, 16 bytes long.
 Data: < A 0&#169;           > 08 41 1B 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A9301B3680, 16 bytes long.
 Data: <&#224;@ 0&#169;           > E0 40 1B 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A9301B3360, 16 bytes long.
 Data: <&#184;@ 0&#169;           > B8 40 1B 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A9301B37C0, 16 bytes long.
 Data: < @ 0&#169;           > 90 40 1B 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A9301B30E0, 16 bytes long.
 Data: <&#224;&#221; 0&#169;           > E0 DD 1A 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A9301ADDE0, 40 bytes long.
 Data: <&#224;0 0&#169;    &#205;&#202;1&#169;   > E0 30 1B 30 A9 01 00 00 90 CD CA 31 A9 01 00 00 
{257} normal block at 0x000001A9301B3630, 16 bytes long.
 Data: <p@ 0&#169;           > 70 40 1B 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001A9301B3D10, 16 bytes long.
 Data: <H@ 0&#169;           > 48 40 1B 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001A9301AC9B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001A9301B2FF0, 16 bytes long.
 Data: < @ 0&#169;           > 20 40 1B 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001A9301B4020, 992 bytes long.
 Data: <&#240;/ 0&#169;   &#176;&#201; 0&#169;   > F0 2F 1B 30 A9 01 00 00 B0 C9 1A 30 A9 01 00 00 
{89} normal block at 0x000001A9301AC3B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001A9301A7C20, 16 bytes long.
 Data: < &#221; 0&#169;           > 00 DD 1A 30 A9 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001A9301ADD00, 40 bytes long.
 Data: < | 0&#169;   &#176;&#195; 0&#169;   > 20 7C 1A 30 A9 01 00 00 B0 C3 1A 30 A9 01 00 00 
{66} normal block at 0x000001A9301A71D0, 16 bytes long.
 Data: < &#234;&#238;&#224;&#247;           > 80 EA EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A9301A7130, 16 bytes long.
 Data: <@&#233;&#238;&#224;&#247;           > 40 E9 EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A9301A7630, 16 bytes long.
 Data: <&#248;W&#235;&#224;&#247;           > F8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A9301A7B30, 16 bytes long.
 Data: <&#216;W&#235;&#224;&#247;           > D8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A9301A70E0, 16 bytes long.
 Data: <P &#235;&#224;&#247;           > 50 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A9301A78B0, 16 bytes long.
 Data: <0 &#235;&#224;&#247;           > 30 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001A9301A7040, 16 bytes long.
 Data: <&#224; &#235;&#224;&#247;           > E0 02 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001A9301A6FF0, 16 bytes long.
 Data: <  &#235;&#224;&#247;           > 10 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001A9301A79A0, 16 bytes long.
 Data: <p &#235;&#224;&#247;           > 70 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001A9301A7950, 16 bytes long.
 Data: < &#192;&#233;&#224;&#247;           > 18 C0 E9 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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