Task 38682468

Name test_291-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND9472_1
Workunit 31623985
Created 27 Oct 2026, 7:52:59 UTC
Sent 27 Oct 2026, 7:53:33 UTC
Report deadline 1 Nov 2026, 7:53:33 UTC
Received 27 Oct 2026, 8:36:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606123
Run time 33 min 7 sec
CPU time 32 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 694.01 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:01:21 (25672): wrapper (7.9.26016): starting
10:01:21 (25672): 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
10:01:23 (25672): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:01:23 (25672): 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\4\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\4\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
10:35:59 (25672): C:/Windows/system32/cmd.exe exited; CPU time 1949.906250
10:35:59 (25672): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 34588755 bytes.
Dumping objects ->
{3835255} normal block at 0x00000229FA155660, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x00000229FA155200, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x00000229FA155890, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x00000229FA155740, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x00000229FA154D30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x00000229FBE9C720, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x00000229FBE9D4E0, 180 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) : {3835166} normal block at 0x00000229FA126030, 8 bytes long.
 Data: <   &#250;)   > 00 00 0C FA 29 02 00 00 
{3834558} normal block at 0x00000229FBE9D5D0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000229FA125A40, 8 bytes long.
 Data: <&#144;&#244;&#228;&#251;)   > 90 F4 E4 FB 29 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000229FA130470, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000229FA115010, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000229FA132310, 16 bytes long.
 Data: < * &#250;)           > 88 2A 13 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000229FA1323B0, 16 bytes long.
 Data: <`* &#250;)           > 60 2A 13 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000229FA12BFD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000229FA1322C0, 16 bytes long.
 Data: <8* &#250;)           > 38 2A 13 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000229FA132270, 16 bytes long.
 Data: < * &#250;)           > 10 2A 13 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000229FA132220, 16 bytes long.
 Data: <&#232;) &#250;)           > E8 29 13 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000229FA1321D0, 16 bytes long.
 Data: <&#192;) &#250;)           > C0 29 13 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000229FA12A3D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000229FA132180, 16 bytes long.
 Data: <&#200;&#184; &#250;)           > C8 B8 12 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000229FA12BEB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000229FA132400, 16 bytes long.
 Data: <&#160;&#184; &#250;)           > A0 B8 12 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000229FA131730, 16 bytes long.
 Data: <x&#184; &#250;)           > 78 B8 12 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000229FA132130, 16 bytes long.
 Data: <P&#184; &#250;)           > 50 B8 12 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000229FA131D20, 16 bytes long.
 Data: <(&#184; &#250;)           > 28 B8 12 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000229FA132090, 16 bytes long.
 Data: < &#184; &#250;)           > 00 B8 12 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000229FA131820, 16 bytes long.
 Data: <&#216;&#183; &#250;)           > D8 B7 12 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000229FA12C870, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000229FA131A00, 16 bytes long.
 Data: <&#176;&#183; &#250;)           > B0 B7 12 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000229FA12B7B0, 320 bytes long.
 Data: <   &#250;)   p&#200; &#250;)   > 00 1A 13 FA 29 02 00 00 70 C8 12 FA 29 02 00 00 
{273} normal block at 0x00000229FA1324A0, 16 bytes long.
 Data: <&#160;) &#250;)           > A0 29 13 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000229FA131FF0, 16 bytes long.
 Data: <x) &#250;)           > 78 29 13 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000229FA12C330, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000229FA131FA0, 16 bytes long.
 Data: <P) &#250;)           > 50 29 13 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000229FA12C2D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000229FA131EB0, 16 bytes long.
 Data: < ( &#250;)           > 98 28 13 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000229FA1324F0, 16 bytes long.
 Data: <p( &#250;)           > 70 28 13 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000229FA131B90, 16 bytes long.
 Data: <H( &#250;)           > 48 28 13 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000229FA131960, 16 bytes long.
 Data: < ( &#250;)           > 20 28 13 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000229FA131F50, 16 bytes long.
 Data: <&#248;' &#250;)           > F8 27 13 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000229FA1320E0, 16 bytes long.
 Data: <&#208;' &#250;)           > D0 27 13 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000229FA132040, 16 bytes long.
 Data: < &#166; &#250;)           > 00 A6 12 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000229FA12A600, 40 bytes long.
 Data: <@  &#250;)    &#199;&#233;&#251;)   > 40 20 13 FA 29 02 00 00 20 C7 E9 FB 29 02 00 00 
{259} normal block at 0x00000229FA131C80, 16 bytes long.
 Data: <&#176;' &#250;)           > B0 27 13 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000229FA131E60, 16 bytes long.
 Data: < ' &#250;)           > 88 27 13 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000229FA12C630, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000229FA132450, 16 bytes long.
 Data: <`' &#250;)           > 60 27 13 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000229FA132760, 992 bytes long.
 Data: <P$ &#250;)   0&#198; &#250;)   > 50 24 13 FA 29 02 00 00 30 C6 12 FA 29 02 00 00 
{91} normal block at 0x00000229FA12C0F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000229FA125FE0, 16 bytes long.
 Data: <0&#168; &#250;)           > 30 A8 12 FA 29 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000229FA12A830, 40 bytes long.
 Data: <&#224;_ &#250;)   &#240;&#192; &#250;)   > E0 5F 12 FA 29 02 00 00 F0 C0 12 FA 29 02 00 00 
{68} normal block at 0x00000229FA1266C0, 16 bytes long.
 Data: <&#128;&#234; \&#247;           > 80 EA 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000229FA125A90, 16 bytes long.
 Data: <@&#233; \&#247;           > 40 E9 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000229FA1262B0, 16 bytes long.
 Data: <&#248;W \&#247;           > F8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000229FA1258B0, 16 bytes long.
 Data: <&#216;W \&#247;           > D8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000229FA126670, 16 bytes long.
 Data: <P  \&#247;           > 50 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000229FA1260D0, 16 bytes long.
 Data: <0  \&#247;           > 30 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000229FA1265D0, 16 bytes long.
 Data: <&#224;  \&#247;           > E0 02 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000229FA125D10, 16 bytes long.
 Data: <   \&#247;           > 10 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000229FA126440, 16 bytes long.
 Data: <p  \&#247;           > 70 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000229FA125C70, 16 bytes long.
 Data: < &#192; \&#247;           > 18 C0 0C 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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