Task 38655289

Name test_524-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND8722_1
Workunit 31595735
Created 24 Oct 2026, 9:22:04 UTC
Sent 24 Oct 2026, 9:22:08 UTC
Report deadline 29 Oct 2026, 9:22:08 UTC
Received 24 Oct 2026, 10:29:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649737
Run time 1 hours 4 min 1 sec
CPU time 1 hours 1 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,635.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 674.85 MB
Peak swap size 3.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
22:25:40 (16808): wrapper (7.9.26016): starting
22:25:40 (16808): 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
22:25:41 (16808): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:25:41 (16808): 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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
23:28:20 (16808): C:/Windows/system32/cmd.exe exited; CPU time 3685.718750
23:28:20 (16808): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 60973545 bytes.
Dumping objects ->
{3835297} normal block at 0x000001701CEFD1F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835286} normal block at 0x000001701CEFD490, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x000001701CEFCB60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835264} normal block at 0x000001701B46E420, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x000001701B46E110, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835222} normal block at 0x000001701CF46930, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000001701CF5EEC0, 102 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) : {3835208} normal block at 0x000001701B469960, 8 bytes long.
 Data: <  &#208; p   > 00 00 D0 1C 70 01 00 00 
{3834578} normal block at 0x000001701CF5EB50, 102 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 0x000001701B4698C0, 8 bytes long.
 Data: <&#192;G&#253; p   > C0 47 FD 1C 70 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001701B4731A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001701B45B410, 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 0x000001701B474C30, 16 bytes long.
 Data: <XdG p           > 58 64 47 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001701B474B90, 16 bytes long.
 Data: <0dG p           > 30 64 47 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001701B46FC40, 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 0x000001701B4748C0, 16 bytes long.
 Data: < dG p           > 08 64 47 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001701B474870, 16 bytes long.
 Data: <&#224;cG p           > E0 63 47 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001701B474550, 16 bytes long.
 Data: <&#184;cG p           > B8 63 47 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001701B474460, 16 bytes long.
 Data: < cG p           > 90 63 47 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001701B46E500, 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 0x000001701B4740A0, 16 bytes long.
 Data: < &#239;F p           > 88 EF 46 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001701B46FFA0, 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 0x000001701B474410, 16 bytes long.
 Data: <`&#239;F p           > 60 EF 46 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001701B474E60, 16 bytes long.
 Data: <8&#239;F p           > 38 EF 46 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001701B474320, 16 bytes long.
 Data: < &#239;F p           > 10 EF 46 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001701B4743C0, 16 bytes long.
 Data: <&#232;&#238;F p           > E8 EE 46 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001701B473FB0, 16 bytes long.
 Data: <&#192;&#238;F p           > C0 EE 46 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001701B474370, 16 bytes long.
 Data: < &#238;F p           > 98 EE 46 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001701B470420, 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 0x000001701B474AF0, 16 bytes long.
 Data: <p&#238;F p           > 70 EE 46 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001701B46EE70, 320 bytes long.
 Data: <&#240;JG p     G p   > F0 4A 47 1B 70 01 00 00 20 04 47 1B 70 01 00 00 
{271} normal block at 0x000001701B474E10, 16 bytes long.
 Data: <pcG p           > 70 63 47 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001701B474730, 16 bytes long.
 Data: <HcG p           > 48 63 47 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001701B46F8E0, 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 0x000001701B474820, 16 bytes long.
 Data: < cG p           > 20 63 47 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001701B4702A0, 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 0x000001701B474AA0, 16 bytes long.
 Data: <hbG p           > 68 62 47 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001701B474B40, 16 bytes long.
 Data: <@bG p           > 40 62 47 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001701B474050, 16 bytes long.
 Data: < bG p           > 18 62 47 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001701B474DC0, 16 bytes long.
 Data: <&#240;aG p           > F0 61 47 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001701B474190, 16 bytes long.
 Data: <&#200;aG p           > C8 61 47 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001701B474690, 16 bytes long.
 Data: <&#160;aG p           > A0 61 47 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001701B474280, 16 bytes long.
 Data: < &#228;F p           > 90 E4 46 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001701B46E490, 40 bytes long.
 Data: < BG p   0i&#244; p   > 80 42 47 1B 70 01 00 00 30 69 F4 1C 70 01 00 00 
{257} normal block at 0x000001701B474EB0, 16 bytes long.
 Data: < aG p           > 80 61 47 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001701B474230, 16 bytes long.
 Data: <XaG p           > 58 61 47 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001701B46FCA0, 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 0x000001701B474000, 16 bytes long.
 Data: <0aG p           > 30 61 47 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001701B476130, 992 bytes long.
 Data: < @G p   &#160;&#252;F p   > 00 40 47 1B 70 01 00 00 A0 FC 46 1B 70 01 00 00 
{89} normal block at 0x000001701B470180, 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 0x000001701B469D20, 16 bytes long.
 Data: < &#225;F p           > 80 E1 46 1B 70 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001701B46E180, 40 bytes long.
 Data: <  F p     G p   > 20 9D 46 1B 70 01 00 00 80 01 47 1B 70 01 00 00 
{66} normal block at 0x000001701B4695F0, 16 bytes long.
 Data: < &#234;&#229;&#193;&#247;           > 80 EA E5 C1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001701B469E60, 16 bytes long.
 Data: <@&#233;&#229;&#193;&#247;           > 40 E9 E5 C1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001701B469780, 16 bytes long.
 Data: <&#248;W&#226;&#193;&#247;           > F8 57 E2 C1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001701B469C80, 16 bytes long.
 Data: <&#216;W&#226;&#193;&#247;           > D8 57 E2 C1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001701B469B40, 16 bytes long.
 Data: <P &#226;&#193;&#247;           > 50 04 E2 C1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001701B46A180, 16 bytes long.
 Data: <0 &#226;&#193;&#247;           > 30 04 E2 C1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001701B4695A0, 16 bytes long.
 Data: <&#224; &#226;&#193;&#247;           > E0 02 E2 C1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001701B46A270, 16 bytes long.
 Data: <  &#226;&#193;&#247;           > 10 04 E2 C1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001701B469690, 16 bytes long.
 Data: <p &#226;&#193;&#247;           > 70 04 E2 C1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001701B469A50, 16 bytes long.
 Data: < &#192;&#224;&#193;&#247;           > 18 C0 E0 C1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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