Task 38664310

Name test_281-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND4185_0
Workunit 31607474
Created 24 Oct 2026, 23:28:21 UTC
Sent 24 Oct 2026, 23:28:28 UTC
Report deadline 29 Oct 2026, 23:28:28 UTC
Received 25 Oct 2026, 4:39:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 583658
Run time 54 min 56 sec
CPU time 52 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,419.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 696.55 MB
Peak swap size 3.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
23:45:22 (12700): wrapper (7.9.26016): starting
23:45:22 (12700): 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
23:45:24 (12700): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:45:24 (12700): 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\1\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\1\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
00:38:39 (12700): C:/Windows/system32/cmd.exe exited; CPU time 3166.531250
00:38:39 (12700): 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: 72397529 bytes.
Dumping objects ->
{3835315} normal block at 0x0000024418990F40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835304} normal block at 0x0000024418990C30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835293} normal block at 0x0000024418990BC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835282} normal block at 0x0000024418990CA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x0000024418991410, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835240} normal block at 0x0000024418A3C830, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x0000024418A9D120, 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) : {3835226} normal block at 0x0000024417016A40, 8 bytes long.
 Data: <  &#249; D   > 00 00 F9 16 44 02 00 00 
{3834574} normal block at 0x0000024418A9DA10, 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 0x00000244170169F0, 8 bytes long.
 Data: <p&#199;  D   > 70 C7 99 18 44 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000244170211B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000244170220F0, 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 0x0000024417022BA0, 16 bytes long.
 Data: <&#216;8  D           > D8 38 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000244170226A0, 16 bytes long.
 Data: <&#176;8  D           > B0 38 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002441701CB20, 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 0x00000244170225B0, 16 bytes long.
 Data: < 8  D           > 88 38 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024417022560, 16 bytes long.
 Data: <`8  D           > 60 38 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024417022240, 16 bytes long.
 Data: <88  D           > 38 38 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024417022A60, 16 bytes long.
 Data: < 8  D           > 10 38 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002441701B5E0, 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 0x00000244170222E0, 16 bytes long.
 Data: <    D           > 88 20 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002441701D900, 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 0x00000244170221F0, 16 bytes long.
 Data: <`   D           > 60 20 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024417022290, 16 bytes long.
 Data: <8   D           > 38 20 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024417022470, 16 bytes long.
 Data: <    D           > 10 20 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024417022FB0, 16 bytes long.
 Data: <&#232;   D           > E8 1F 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024417022970, 16 bytes long.
 Data: <&#192;   D           > C0 1F 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024417022F10, 16 bytes long.
 Data: <    D           > 98 1F 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002441701D4E0, 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 0x00000244170223D0, 16 bytes long.
 Data: <p   D           > 70 1F 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024417021F70, 320 bytes long.
 Data: <&#208;#  D   &#224;&#212;  D   > D0 23 02 17 44 02 00 00 E0 D4 01 17 44 02 00 00 
{271} normal block at 0x00000244170224C0, 16 bytes long.
 Data: <&#240;7  D           > F0 37 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024417023140, 16 bytes long.
 Data: <&#200;7  D           > C8 37 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002441701CDC0, 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 0x00000244170227E0, 16 bytes long.
 Data: <&#160;7  D           > A0 37 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002441701CC40, 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 0x0000024417022740, 16 bytes long.
 Data: <&#232;6  D           > E8 36 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024417022DD0, 16 bytes long.
 Data: <&#192;6  D           > C0 36 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024417022880, 16 bytes long.
 Data: < 6  D           > 98 36 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024417022420, 16 bytes long.
 Data: <p6  D           > 70 36 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024417022650, 16 bytes long.
 Data: <H6  D           > 48 36 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024417022F60, 16 bytes long.
 Data: < 6  D           > 20 36 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024417022A10, 16 bytes long.
 Data: <&#240;&#184;  D           > F0 B8 01 17 44 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002441701B8F0, 40 bytes long.
 Data: < *  D   0&#200;&#163; D   > 10 2A 02 17 44 02 00 00 30 C8 A3 18 44 02 00 00 
{257} normal block at 0x0000024417022BF0, 16 bytes long.
 Data: < 6  D           > 00 36 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024417022830, 16 bytes long.
 Data: <&#216;5  D           > D8 35 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002441701D000, 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 0x0000024417022CE0, 16 bytes long.
 Data: <&#176;5  D           > B0 35 02 17 44 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000244170235B0, 992 bytes long.
 Data: <&#224;,  D    &#208;  D   > E0 2C 02 17 44 02 00 00 00 D0 01 17 44 02 00 00 
{89} normal block at 0x000002441701CA60, 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 0x00000244170170D0, 16 bytes long.
 Data: <0&#183;  D           > 30 B7 01 17 44 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002441701B730, 40 bytes long.
 Data: <&#208;p  D   `&#202;  D   > D0 70 01 17 44 02 00 00 60 CA 01 17 44 02 00 00 
{66} normal block at 0x0000024417017300, 16 bytes long.
 Data: < &#234;&#158;s&#246;           > 80 EA 9E 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024417016FE0, 16 bytes long.
 Data: <@&#233;&#158;s&#246;           > 40 E9 9E 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024417016B30, 16 bytes long.
 Data: <&#248;W&#155;s&#246;           > F8 57 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024417017440, 16 bytes long.
 Data: <&#216;W&#155;s&#246;           > D8 57 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000244170169A0, 16 bytes long.
 Data: <P &#155;s&#246;           > 50 04 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024417016C70, 16 bytes long.
 Data: <0 &#155;s&#246;           > 30 04 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024417016720, 16 bytes long.
 Data: <&#224; &#155;s&#246;           > E0 02 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024417016C20, 16 bytes long.
 Data: <  &#155;s&#246;           > 10 04 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024417016F40, 16 bytes long.
 Data: <p &#155;s&#246;           > 70 04 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000024417016900, 16 bytes long.
 Data: < &#192; s&#246;           > 18 C0 99 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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