Task 38667878

Name test_292-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND3097_0
Workunit 31610458
Created 25 Oct 2026, 9:46:10 UTC
Sent 25 Oct 2026, 9:46:15 UTC
Report deadline 30 Oct 2026, 9:46:15 UTC
Received 25 Oct 2026, 10:52:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643627
Run time 19 min 6 sec
CPU time 17 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 760.74 MB
Peak swap size 13.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
05:21:26 (34224): wrapper (7.9.26016): starting
05:21:26 (34224): 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
05:21:28 (34224): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:21:28 (34224): 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\14\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\14\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
05:39:38 (34224): C:/Windows/system32/cmd.exe exited; CPU time 1029.718750
05:39:38 (34224): 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: 23912741 bytes.
Dumping objects ->
{3835497} normal block at 0x0000017A0BFF5210, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835486} normal block at 0x0000017A0BFF5600, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x0000017A0BFF58A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835464} normal block at 0x0000017A0BFF5830, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835453} normal block at 0x0000017A0BFF5910, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835422} normal block at 0x0000017A0DCF69D0, 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) : {3835409} normal block at 0x0000017A0BFF08B0, 8 bytes long.
 Data: <  ? z   > 00 00 3F 0C 7A 01 00 00 
{3833969} normal block at 0x0000017A0BFF0450, 8 bytes long.
 Data: <&#160;L&#255; z   > A0 4C FF 0B 7A 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000017A0BFF2680, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000017A0BFE6A10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000017A0BFF6610, 16 bytes long.
 Data: <&#184;r&#255; z           > B8 72 FF 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000017A0BFF6B10, 16 bytes long.
 Data: < r&#255; z           > 90 72 FF 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000017A0BFEE7A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000017A0BFF6AC0, 16 bytes long.
 Data: <hr&#255; z           > 68 72 FF 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017A0BFF67F0, 16 bytes long.
 Data: <@r&#255; z           > 40 72 FF 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017A0BFF6840, 16 bytes long.
 Data: < r&#255; z           > 18 72 FF 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017A0BFF6DE0, 16 bytes long.
 Data: <&#240;q&#255; z           > F0 71 FF 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017A0BFF54B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000017A0BFF67A0, 16 bytes long.
 Data: <&#248;&#249;&#253; z           > F8 F9 FD 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017A0BFEE5C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000017A0BFF6700, 16 bytes long.
 Data: <&#208;&#249;&#253; z           > D0 F9 FD 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017A0BFF64D0, 16 bytes long.
 Data: <&#168;&#249;&#253; z           > A8 F9 FD 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017A0BFF66B0, 16 bytes long.
 Data: < &#249;&#253; z           > 80 F9 FD 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017A0BFF6E80, 16 bytes long.
 Data: <X&#249;&#253; z           > 58 F9 FD 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017A0BFF6020, 16 bytes long.
 Data: <0&#249;&#253; z           > 30 F9 FD 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017A0BFF69D0, 16 bytes long.
 Data: < &#249;&#253; z           > 08 F9 FD 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017A0BFEDF60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000017A0BFF6A70, 16 bytes long.
 Data: <&#224;&#248;&#253; z           > E0 F8 FD 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017A0BFDF8E0, 320 bytes long.
 Data: <pj&#255; z   `&#223;&#254; z   > 70 6A FF 0B 7A 01 00 00 60 DF FE 0B 7A 01 00 00 
{280} normal block at 0x0000017A0BFF6660, 16 bytes long.
 Data: <&#208;q&#255; z           > D0 71 FF 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017A0BFF6890, 16 bytes long.
 Data: <&#168;q&#255; z           > A8 71 FF 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017A0BFEDC60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000017A0BFF6480, 16 bytes long.
 Data: < q&#255; z           > 80 71 FF 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017A0BFEDC00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000017A0BFF6D40, 16 bytes long.
 Data: <&#200;p&#255; z           > C8 70 FF 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017A0BFF6930, 16 bytes long.
 Data: <&#160;p&#255; z           > A0 70 FF 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017A0BFF6750, 16 bytes long.
 Data: <xp&#255; z           > 78 70 FF 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017A0BFF68E0, 16 bytes long.
 Data: <Pp&#255; z           > 50 70 FF 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017A0BFF6CF0, 16 bytes long.
 Data: <(p&#255; z           > 28 70 FF 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017A0BFF5FD0, 16 bytes long.
 Data: < p&#255; z           > 00 70 FF 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017A0BFF6520, 16 bytes long.
 Data: <pV&#255; z           > 70 56 FF 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017A0BFF5670, 40 bytes long.
 Data: < e&#255; z   &#208;i&#207; z   > 20 65 FF 0B 7A 01 00 00 D0 69 CF 0D 7A 01 00 00 
{266} normal block at 0x0000017A0BFF6390, 16 bytes long.
 Data: <&#224;o&#255; z           > E0 6F FF 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017A0BFF6570, 16 bytes long.
 Data: <&#184;o&#255; z           > B8 6F FF 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017A0BFEE320, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000017A0BFF6ED0, 16 bytes long.
 Data: < o&#255; z           > 90 6F FF 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017A0BFF6F90, 992 bytes long.
 Data: <&#208;n&#255; z    &#227;&#254; z   > D0 6E FF 0B 7A 01 00 00 20 E3 FE 0B 7A 01 00 00 
{98} normal block at 0x0000017A0BFEE500, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000017A0BFEFDC0, 16 bytes long.
 Data: <p&#245;&#253; z           > 70 F5 FD 0B 7A 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000017A0BFDF570, 40 bytes long.
 Data: <&#192;&#253;&#254; z    &#229;&#254; z   > C0 FD FE 0B 7A 01 00 00 00 E5 FE 0B 7A 01 00 00 
{75} normal block at 0x0000017A0BFF07C0, 16 bytes long.
 Data: < &#234;&#247;&#208;&#246;           > 80 EA F7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000017A0BFEFAF0, 16 bytes long.
 Data: <@&#233;&#247;&#208;&#246;           > 40 E9 F7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000017A0BFF0130, 16 bytes long.
 Data: <&#248;W&#244;&#208;&#246;           > F8 57 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000017A0BFEFD70, 16 bytes long.
 Data: <&#216;W&#244;&#208;&#246;           > D8 57 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000017A0BFF01D0, 16 bytes long.
 Data: <P &#244;&#208;&#246;           > 50 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000017A0BFEFEB0, 16 bytes long.
 Data: <0 &#244;&#208;&#246;           > 30 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000017A0BFF06D0, 16 bytes long.
 Data: <&#224; &#244;&#208;&#246;           > E0 02 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017A0BFF0540, 16 bytes long.
 Data: <  &#244;&#208;&#246;           > 10 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017A0BFEFC30, 16 bytes long.
 Data: <p &#244;&#208;&#246;           > 70 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017A0BFF0360, 16 bytes long.
 Data: < &#192;&#242;&#208;&#246;           > 18 C0 F2 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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