Task 38666509

Name test_293-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND4941_0
Workunit 31609396
Created 25 Oct 2026, 3:34:31 UTC
Sent 25 Oct 2026, 3:44:42 UTC
Report deadline 30 Oct 2026, 3:44:42 UTC
Received 25 Oct 2026, 4:16:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617663
Run time 30 min 24 sec
CPU time 28 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.71 MB
Peak swap size 6.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
22:45:38 (35412): wrapper (7.9.26016): starting
22:45:38 (35412): 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
22:45:39 (35412): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:45:39 (35412): 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 'F:\ProgramData\BOINC\slots\0\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 'F:\ProgramData\BOINC\slots\0\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
23:15:46 (35412): C:/Windows/system32/cmd.exe exited; CPU time 1712.140625
23:15:46 (35412): 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: 37111071 bytes.
Dumping objects ->
{3835194} normal block at 0x0000025224B387C0, 48 bytes long.
 Data: <PATH=F:\ProgramD> 50 41 54 48 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x0000025222F25200, 48 bytes long.
 Data: <HOME=F:\ProgramD> 48 4F 4D 45 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x0000025222F25740, 48 bytes long.
 Data: <TMP=F:\ProgramDa> 54 4D 50 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835161} normal block at 0x0000025222F254A0, 48 bytes long.
 Data: <TEMP=F:\ProgramD> 54 45 4D 50 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x0000025222F25190, 48 bytes long.
 Data: <TMPDIR=F:\Progra> 54 4D 50 44 49 52 3D 46 3A 5C 50 72 6F 67 72 61 
{3835119} normal block at 0x0000025224B4A4B0, 64 bytes long.
 Data: <PATH=F:\ProgramD> 50 41 54 48 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835106} normal block at 0x0000025222F1E7A0, 8 bytes long.
 Data: <  ,#R   > 00 00 2C 23 52 02 00 00 
{3833959} normal block at 0x0000025222F1F330, 8 bytes long.
 Data: <p[&#189;$R   > 70 5B BD 24 52 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000025222F17790, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025222F10F50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000025222F26880, 16 bytes long.
 Data: <8b&#242;"R           > 38 62 F2 22 52 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025222F266A0, 16 bytes long.
 Data: < b&#242;"R           > 10 62 F2 22 52 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025222F21430, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000025222F26560, 16 bytes long.
 Data: <&#232;a&#242;"R           > E8 61 F2 22 52 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025222F26C40, 16 bytes long.
 Data: <&#192;a&#242;"R           > C0 61 F2 22 52 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025222F268D0, 16 bytes long.
 Data: < a&#242;"R           > 98 61 F2 22 52 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025222F26830, 16 bytes long.
 Data: <pa&#242;"R           > 70 61 F2 22 52 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025222F25660, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000025222F26650, 16 bytes long.
 Data: <h&#206;&#240;"R           > 68 CE F0 22 52 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025222F212B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000025222F26D80, 16 bytes long.
 Data: <@&#206;&#240;"R           > 40 CE F0 22 52 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025222F26600, 16 bytes long.
 Data: < &#206;&#240;"R           > 18 CE F0 22 52 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025222F26C90, 16 bytes long.
 Data: <&#240;&#205;&#240;"R           > F0 CD F0 22 52 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025222F27000, 16 bytes long.
 Data: <&#200;&#205;&#240;"R           > C8 CD F0 22 52 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025222F26B50, 16 bytes long.
 Data: <&#160;&#205;&#240;"R           > A0 CD F0 22 52 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025222F269C0, 16 bytes long.
 Data: <x&#205;&#240;"R           > 78 CD F0 22 52 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025222F20B30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000025222F26970, 16 bytes long.
 Data: <P&#205;&#240;"R           > 50 CD F0 22 52 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025222F0CD50, 320 bytes long.
 Data: <pi&#242;"R   0 &#242;"R   > 70 69 F2 22 52 02 00 00 30 0B F2 22 52 02 00 00 
{275} normal block at 0x0000025222F26CE0, 16 bytes long.
 Data: <Pa&#242;"R           > 50 61 F2 22 52 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025222F26920, 16 bytes long.
 Data: <(a&#242;"R           > 28 61 F2 22 52 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025222F20DD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000025222F26470, 16 bytes long.
 Data: < a&#242;"R           > 00 61 F2 22 52 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025222F214F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000025222F263D0, 16 bytes long.
 Data: <H`&#242;"R           > 48 60 F2 22 52 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025222F26FB0, 16 bytes long.
 Data: < `&#242;"R           > 20 60 F2 22 52 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025222F267E0, 16 bytes long.
 Data: <&#248;_&#242;"R           > F8 5F F2 22 52 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025222F270A0, 16 bytes long.
 Data: <&#208;_&#242;"R           > D0 5F F2 22 52 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025222F26380, 16 bytes long.
 Data: <&#168;_&#242;"R           > A8 5F F2 22 52 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025222F1ED40, 16 bytes long.
 Data: < _&#242;"R           > 80 5F F2 22 52 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025222F1E9D0, 16 bytes long.
 Data: < Q&#242;"R           > 20 51 F2 22 52 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025222F25120, 40 bytes long.
 Data: <&#208;&#233;&#241;"R   &#176;&#164;&#180;$R   > D0 E9 F1 22 52 02 00 00 B0 A4 B4 24 52 02 00 00 
{261} normal block at 0x0000025222F1F3D0, 16 bytes long.
 Data: <`_&#242;"R           > 60 5F F2 22 52 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025222F1E8E0, 16 bytes long.
 Data: <8_&#242;"R           > 38 5F F2 22 52 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025222F21730, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000025222F1F2E0, 16 bytes long.
 Data: < _&#242;"R           > 10 5F F2 22 52 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000025222F25F10, 992 bytes long.
 Data: <&#224;&#242;&#241;"R   0 &#242;"R   > E0 F2 F1 22 52 02 00 00 30 17 F2 22 52 02 00 00 
{93} normal block at 0x0000025222F21610, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000025222F1EB60, 16 bytes long.
 Data: < U&#242;"R           > 80 55 F2 22 52 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000025222F25580, 40 bytes long.
 Data: <`&#235;&#241;"R     &#242;"R   > 60 EB F1 22 52 02 00 00 10 16 F2 22 52 02 00 00 
{70} normal block at 0x0000025222F1E7F0, 16 bytes long.
 Data: < &#234;&&#250;&#247;           > 80 EA 26 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025222F1F6A0, 16 bytes long.
 Data: <@&#233;&&#250;&#247;           > 40 E9 26 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025222F1F0B0, 16 bytes long.
 Data: <&#248;W#&#250;&#247;           > F8 57 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025222F1F1F0, 16 bytes long.
 Data: <&#216;W#&#250;&#247;           > D8 57 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025222F1E980, 16 bytes long.
 Data: <P #&#250;&#247;           > 50 04 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025222F1F5B0, 16 bytes long.
 Data: <0 #&#250;&#247;           > 30 04 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025222F1F650, 16 bytes long.
 Data: <&#224; #&#250;&#247;           > E0 02 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025222F1EB10, 16 bytes long.
 Data: <  #&#250;&#247;           > 10 04 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025222F1E930, 16 bytes long.
 Data: <p #&#250;&#247;           > 70 04 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025222F1F470, 16 bytes long.
 Data: < &#192;!&#250;&#247;           > 18 C0 21 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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