Task 38659705

Name test_1642-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND5652_0
Workunit 31603245
Created 24 Oct 2026, 13:34:18 UTC
Sent 24 Oct 2026, 16:08:58 UTC
Report deadline 29 Oct 2026, 16:08:58 UTC
Received 24 Oct 2026, 16:27:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652400
Run time 15 min 3 sec
CPU time 13 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.44 MB
Peak swap size 8.49 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:10:16 (25052): wrapper (7.9.26016): starting
18:10:16 (25052): 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
18:10:17 (25052): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:10:17 (25052): 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\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 'C:\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
18:24:38 (25052): C:/Windows/system32/cmd.exe exited; CPU time 836.015625
18:24:38 (25052): 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: 15682823 bytes.
Dumping objects ->
{3835229} normal block at 0x000002448DA94260, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000002448DA93FC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000002448DA943B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835196} normal block at 0x000002448DA94570, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x000002448DA94180, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835154} normal block at 0x000002448F74B000, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835143} normal block at 0x000002448DAB7E10, 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) : {3835140} normal block at 0x000002448DA8D9A0, 8 bytes long.
 Data: <  &#164; D   > 00 00 A4 8D 44 02 00 00 
{3834544} normal block at 0x000002448DAB8910, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000002448DA8D900, 8 bytes long.
 Data: <&#160; &#130; D   > A0 20 82 8F 44 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002448DA8F880, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002448DA864D0, 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 0x000002448DA92D20, 16 bytes long.
 Data: <x>&#169; D           > 78 3E A9 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002448DA92BE0, 16 bytes long.
 Data: <P>&#169; D           > 50 3E A9 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002448DA8E290, 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 0x000002448DA92EB0, 16 bytes long.
 Data: <(>&#169; D           > 28 3E A9 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002448DA92B90, 16 bytes long.
 Data: < >&#169; D           > 00 3E A9 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002448DA93310, 16 bytes long.
 Data: <&#216;=&#169; D           > D8 3D A9 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002448DA93A90, 16 bytes long.
 Data: <&#176;=&#169; D           > B0 3D A9 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002448DA94490, 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 0x000002448DA93860, 16 bytes long.
 Data: <&#200;&#200;&#168; D           > C8 C8 A8 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002448DA8E230, 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 0x000002448DA939F0, 16 bytes long.
 Data: <&#160;&#200;&#168; D           > A0 C8 A8 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002448DA932C0, 16 bytes long.
 Data: <x&#200;&#168; D           > 78 C8 A8 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002448DA93A40, 16 bytes long.
 Data: <P&#200;&#168; D           > 50 C8 A8 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002448DA938B0, 16 bytes long.
 Data: <(&#200;&#168; D           > 28 C8 A8 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002448DA93220, 16 bytes long.
 Data: < &#200;&#168; D           > 00 C8 A8 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002448DA92E10, 16 bytes long.
 Data: <&#216;&#199;&#168; D           > D8 C7 A8 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002448DA8DDB0, 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 0x000002448DA92CD0, 16 bytes long.
 Data: <&#176;&#199;&#168; D           > B0 C7 A8 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002448DA8C7B0, 320 bytes long.
 Data: <&#208;,&#169; D   &#176;&#221;&#168; D   > D0 2C A9 8D 44 02 00 00 B0 DD A8 8D 44 02 00 00 
{275} normal block at 0x000002448DA93270, 16 bytes long.
 Data: < =&#169; D           > 90 3D A9 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002448DA92E60, 16 bytes long.
 Data: <h=&#169; D           > 68 3D A9 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002448DA8DB70, 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 0x000002448DA93040, 16 bytes long.
 Data: <@=&#169; D           > 40 3D A9 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002448DA8E0B0, 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 0x000002448DA92F50, 16 bytes long.
 Data: < <&#169; D           > 88 3C A9 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002448DA937C0, 16 bytes long.
 Data: <`<&#169; D           > 60 3C A9 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002448DA935E0, 16 bytes long.
 Data: <8<&#169; D           > 38 3C A9 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002448DA92FA0, 16 bytes long.
 Data: < <&#169; D           > 10 3C A9 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002448DA934F0, 16 bytes long.
 Data: <&#232;;&#169; D           > E8 3B A9 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002448DA93950, 16 bytes long.
 Data: <&#192;;&#169; D           > C0 3B A9 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002448DA93770, 16 bytes long.
 Data: <&#192;&#223;&#167; D           > C0 DF A7 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002448DA7DFC0, 40 bytes long.
 Data: <p7&#169; D    &#176;t D   > 70 37 A9 8D 44 02 00 00 00 B0 74 8F 44 02 00 00 
{261} normal block at 0x000002448DA93900, 16 bytes long.
 Data: <&#160;;&#169; D           > A0 3B A9 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002448DA92D70, 16 bytes long.
 Data: <x;&#169; D           > 78 3B A9 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002448DA8E3B0, 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 0x000002448DA939A0, 16 bytes long.
 Data: <P;&#169; D           > 50 3B A9 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002448DA93B50, 992 bytes long.
 Data: <&#160;9&#169; D   &#176;&#227;&#168; D   > A0 39 A9 8D 44 02 00 00 B0 E3 A8 8D 44 02 00 00 
{93} normal block at 0x000002448DA8DB10, 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 0x000002448DA8D0E0, 16 bytes long.
 Data: <&#208;&#198;&#167; D           > D0 C6 A7 8D 44 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002448DA7C6D0, 40 bytes long.
 Data: <&#224;&#208;&#168; D    &#219;&#168; D   > E0 D0 A8 8D 44 02 00 00 10 DB A8 8D 44 02 00 00 
{70} normal block at 0x000002448DA8D180, 16 bytes long.
 Data: < &#234;&#205;k&#247;           > 80 EA CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002448DA8CCD0, 16 bytes long.
 Data: <@&#233;&#205;k&#247;           > 40 E9 CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002448DA8D720, 16 bytes long.
 Data: <&#248;W&#202;k&#247;           > F8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002448DA8CB40, 16 bytes long.
 Data: <&#216;W&#202;k&#247;           > D8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002448DA8D950, 16 bytes long.
 Data: <P &#202;k&#247;           > 50 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002448DA8D400, 16 bytes long.
 Data: <0 &#202;k&#247;           > 30 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002448DA8D450, 16 bytes long.
 Data: <&#224; &#202;k&#247;           > E0 02 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002448DA8D360, 16 bytes long.
 Data: <  &#202;k&#247;           > 10 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002448DA8D860, 16 bytes long.
 Data: <p &#202;k&#247;           > 70 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002448DA8CF00, 16 bytes long.
 Data: < &#192;&#200;k&#247;           > 18 C0 C8 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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