Task 38662183

Name test_1592-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND7011_3
Workunit 31603173
Created 24 Oct 2026, 18:19:51 UTC
Sent 24 Oct 2026, 18:19:56 UTC
Report deadline 29 Oct 2026, 18:19:56 UTC
Received 24 Oct 2026, 19:08:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464557
Run time 27 min 23 sec
CPU time 26 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,072.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 645.86 MB
Peak swap size 3.75 GB
Peak disk usage 3.18 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
20:23:07 (9632): wrapper (7.9.26016): starting
20:23:07 (9632): 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
20:23:08 (9632): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:23:08 (9632): 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:\BOINC\ProgramData\slots\2\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:\BOINC\ProgramData\slots\2\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
20:49:28 (9632): C:/Windows/system32/cmd.exe exited; CPU time 1563.265625
20:49:28 (9632): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 19444621 bytes.
Dumping objects ->
{3835241} normal block at 0x000001F4F61F1270, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835230} normal block at 0x000001F4F61F17B0, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835219} normal block at 0x000001F4F61F1040, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835208} normal block at 0x000001F4F61F1200, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835197} normal block at 0x000001F4F61F0E10, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835166} normal block at 0x000001F4F629CB90, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835155} normal block at 0x000001F4F63B5180, 160 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) : {3835152} normal block at 0x000001F4F4637360, 8 bytes long.
 Data: <   &#246;&#244;   > 00 00 04 F6 F4 01 00 00 
{3834548} normal block at 0x000001F4F63B4D20, 160 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 0x000001F4F4637310, 8 bytes long.
 Data: <&#224;Z &#246;&#244;   > E0 5A 1F F6 F4 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001F4F46420A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F4F4626300, 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 0x000001F4F4643810, 16 bytes long.
 Data: <HCd&#244;&#244;           > 48 43 64 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F4F4643130, 16 bytes long.
 Data: < Cd&#244;&#244;           > 20 43 64 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F4F463BDB0, 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 0x000001F4F4643E00, 16 bytes long.
 Data: <&#248;Bd&#244;&#244;           > F8 42 64 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F4F4643B30, 16 bytes long.
 Data: <&#208;Bd&#244;&#244;           > D0 42 64 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F4F46437C0, 16 bytes long.
 Data: <&#168;Bd&#244;&#244;           > A8 42 64 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F4F4642FF0, 16 bytes long.
 Data: < Bd&#244;&#244;           > 80 42 64 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F4F463DDE0, 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 0x000001F4F4643770, 16 bytes long.
 Data: < bb&#244;&#244;           > 98 62 62 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F4F463C890, 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 0x000001F4F46430E0, 16 bytes long.
 Data: <pbb&#244;&#244;           > 70 62 62 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F4F4643D10, 16 bytes long.
 Data: <Hbb&#244;&#244;           > 48 62 62 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F4F4643C70, 16 bytes long.
 Data: < bb&#244;&#244;           > 20 62 62 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F4F4643180, 16 bytes long.
 Data: <&#248;ab&#244;&#244;           > F8 61 62 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F4F4643A90, 16 bytes long.
 Data: <&#208;ab&#244;&#244;           > D0 61 62 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F4F4643540, 16 bytes long.
 Data: <&#168;ab&#244;&#244;           > A8 61 62 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F4F463C1D0, 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 0x000001F4F46434A0, 16 bytes long.
 Data: < ab&#244;&#244;           > 80 61 62 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F4F4626180, 320 bytes long.
 Data: <&#160;4d&#244;&#244;   &#208;&#193;c&#244;&#244;   > A0 34 64 F4 F4 01 00 00 D0 C1 63 F4 F4 01 00 00 
{271} normal block at 0x000001F4F4643A40, 16 bytes long.
 Data: <`Bd&#244;&#244;           > 60 42 64 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F4F4643090, 16 bytes long.
 Data: <8Bd&#244;&#244;           > 38 42 64 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F4F463BBD0, 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 0x000001F4F46436D0, 16 bytes long.
 Data: < Bd&#244;&#244;           > 10 42 64 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F4F463C170, 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 0x000001F4F4643680, 16 bytes long.
 Data: <XAd&#244;&#244;           > 58 41 64 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F4F46439F0, 16 bytes long.
 Data: <0Ad&#244;&#244;           > 30 41 64 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F4F46439A0, 16 bytes long.
 Data: < Ad&#244;&#244;           > 08 41 64 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F4F4642EB0, 16 bytes long.
 Data: <&#224;@d&#244;&#244;           > E0 40 64 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F4F4643D60, 16 bytes long.
 Data: <&#184;@d&#244;&#244;           > B8 40 64 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F4F4642F50, 16 bytes long.
 Data: < @d&#244;&#244;           > 90 40 64 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F4F4643B80, 16 bytes long.
 Data: <`&#225;c&#244;&#244;           > 60 E1 63 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F4F463E160, 40 bytes long.
 Data: < ;d&#244;&#244;    &#203;)&#246;&#244;   > 80 3B 64 F4 F4 01 00 00 90 CB 29 F6 F4 01 00 00 
{257} normal block at 0x000001F4F46433B0, 16 bytes long.
 Data: <p@d&#244;&#244;           > 70 40 64 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F4F4643450, 16 bytes long.
 Data: <H@d&#244;&#244;           > 48 40 64 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001F4F463BC30, 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 0x000001F4F4643C20, 16 bytes long.
 Data: < @d&#244;&#244;           > 20 40 64 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001F4F4644020, 992 bytes long.
 Data: < <d&#244;&#244;   0&#188;c&#244;&#244;   > 20 3C 64 F4 F4 01 00 00 30 BC 63 F4 F4 01 00 00 
{89} normal block at 0x000001F4F463C470, 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 0x000001F4F46372C0, 16 bytes long.
 Data: < &#220;c&#244;&#244;           > 20 DC 63 F4 F4 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001F4F463DC20, 40 bytes long.
 Data: <&#192;rc&#244;&#244;   p&#196;c&#244;&#244;   > C0 72 63 F4 F4 01 00 00 70 C4 63 F4 F4 01 00 00 
{66} normal block at 0x000001F4F4637C70, 16 bytes long.
 Data: < &#234;&#238;&#224;&#247;           > 80 EA EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F4F46370E0, 16 bytes long.
 Data: <@&#233;&#238;&#224;&#247;           > 40 E9 EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F4F4636FF0, 16 bytes long.
 Data: <&#248;W&#235;&#224;&#247;           > F8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F4F4637B80, 16 bytes long.
 Data: <&#216;W&#235;&#224;&#247;           > D8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F4F4637090, 16 bytes long.
 Data: <P &#235;&#224;&#247;           > 50 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F4F4636FA0, 16 bytes long.
 Data: <0 &#235;&#224;&#247;           > 30 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F4F4637590, 16 bytes long.
 Data: <&#224; &#235;&#224;&#247;           > E0 02 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F4F4637C20, 16 bytes long.
 Data: <  &#235;&#224;&#247;           > 10 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F4F4637540, 16 bytes long.
 Data: <p &#235;&#224;&#247;           > 70 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001F4F46373B0, 16 bytes long.
 Data: < &#192;&#233;&#224;&#247;           > 18 C0 E9 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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