Task 38680842

Name test_396-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND9497_0
Workunit 31622541
Created 27 Oct 2026, 1:53:25 UTC
Sent 27 Oct 2026, 1:53:28 UTC
Report deadline 1 Nov 2026, 1:53:28 UTC
Received 27 Oct 2026, 3:23:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590389
Run time 50 min 8 sec
CPU time 39 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,993.64 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 683.83 MB
Peak swap size 5.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
22:33:43 (10940): wrapper (7.9.26016): starting
22:33:43 (10940): 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
22:33:45 (10940): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:33:45 (10940): 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\Boinc2\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\Boinc2\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
23:22:33 (10940): C:/Windows/system32/cmd.exe exited; CPU time 2347.750000
23:22:33 (10940): 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: 35830433 bytes.
Dumping objects ->
{3835332} normal block at 0x000002CEFCAC2510, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835321} normal block at 0x000002CEFCAC1EF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835310} normal block at 0x000002CEFCAC2D60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835299} normal block at 0x000002CEFCAC2740, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835288} normal block at 0x000002CEFCAC23C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835257} normal block at 0x000002CEFCBBCE10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x000002CEFCC1DA60, 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) : {3835243} normal block at 0x000002CEFAFF6260, 8 bytes long.
 Data: <  &#173;&#252;&#206;   > 00 00 AD FC CE 02 00 00 
{3834581} normal block at 0x000002CEFCC1E400, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000002CEFAFF6AD0, 8 bytes long.
 Data: <&#224;5&#172;&#252;&#206;   > E0 35 AC FC CE 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002CEFB000D70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002CEFAFEAF70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000002CEFB0021C0, 16 bytes long.
 Data: <&#248;D &#251;&#206;           > F8 44 00 FB CE 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002CEFB002C10, 16 bytes long.
 Data: <&#208;D &#251;&#206;           > D0 44 00 FB CE 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002CEFAFFD2C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000002CEFB002170, 16 bytes long.
 Data: <&#168;D &#251;&#206;           > A8 44 00 FB CE 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002CEFB002120, 16 bytes long.
 Data: < D &#251;&#206;           > 80 44 00 FB CE 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002CEFB002940, 16 bytes long.
 Data: <XD &#251;&#206;           > 58 44 00 FB CE 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002CEFB0028F0, 16 bytes long.
 Data: <0D &#251;&#206;           > 30 44 00 FB CE 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002CEFAFFB350, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000002CEFB002800, 16 bytes long.
 Data: <&#184;&#187;&#254;&#250;&#206;           > B8 BB FE FA CE 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002CEFAFFCA80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000002CEFB001F40, 16 bytes long.
 Data: < &#187;&#254;&#250;&#206;           > 90 BB FE FA CE 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002CEFB0027B0, 16 bytes long.
 Data: <h&#187;&#254;&#250;&#206;           > 68 BB FE FA CE 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002CEFB002580, 16 bytes long.
 Data: <@&#187;&#254;&#250;&#206;           > 40 BB FE FA CE 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002CEFB002760, 16 bytes long.
 Data: < &#187;&#254;&#250;&#206;           > 18 BB FE FA CE 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002CEFB001EF0, 16 bytes long.
 Data: <&#240;&#186;&#254;&#250;&#206;           > F0 BA FE FA CE 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002CEFB002A30, 16 bytes long.
 Data: <&#200;&#186;&#254;&#250;&#206;           > C8 BA FE FA CE 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002CEFAFFCCC0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x000002CEFB002710, 16 bytes long.
 Data: <&#160;&#186;&#254;&#250;&#206;           > A0 BA FE FA CE 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002CEFAFEBAA0, 320 bytes long.
 Data: < ' &#251;&#206;   &#192;&#204;&#255;&#250;&#206;   > 10 27 00 FB CE 02 00 00 C0 CC FF FA CE 02 00 00 
{270} normal block at 0x000002CEFB0023F0, 16 bytes long.
 Data: < D &#251;&#206;           > 10 44 00 FB CE 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002CEFB002030, 16 bytes long.
 Data: <&#232;C &#251;&#206;           > E8 43 00 FB CE 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002CEFAFFCF60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000002CEFB002350, 16 bytes long.
 Data: <&#192;C &#251;&#206;           > C0 43 00 FB CE 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002CEFAFFC9C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000002CEFB002670, 16 bytes long.
 Data: < C &#251;&#206;           > 08 43 00 FB CE 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002CEFB002620, 16 bytes long.
 Data: <&#224;B &#251;&#206;           > E0 42 00 FB CE 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002CEFB0026C0, 16 bytes long.
 Data: <&#184;B &#251;&#206;           > B8 42 00 FB CE 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002CEFB002210, 16 bytes long.
 Data: < B &#251;&#206;           > 90 42 00 FB CE 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002CEFB0028A0, 16 bytes long.
 Data: <hB &#251;&#206;           > 68 42 00 FB CE 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002CEFB002300, 16 bytes long.
 Data: <@B &#251;&#206;           > 40 42 00 FB CE 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002CEFB001E00, 16 bytes long.
 Data: <&#176;&#176;&#255;&#250;&#206;           > B0 B0 FF FA CE 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002CEFAFFB0B0, 40 bytes long.
 Data: <   &#251;&#206;    &#206;&#187;&#252;&#206;   > 00 1E 00 FB CE 02 00 00 10 CE BB FC CE 02 00 00 
{256} normal block at 0x000002CEFB0023A0, 16 bytes long.
 Data: < B &#251;&#206;           > 20 42 00 FB CE 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002CEFB0024E0, 16 bytes long.
 Data: <&#248;A &#251;&#206;           > F8 41 00 FB CE 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002CEFAFFC3C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000002CEFB002D00, 16 bytes long.
 Data: <&#208;A &#251;&#206;           > D0 41 00 FB CE 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002CEFB0041D0, 992 bytes long.
 Data: < - &#251;&#206;   &#192;&#195;&#255;&#250;&#206;   > 00 2D 00 FB CE 02 00 00 C0 C3 FF FA CE 02 00 00 
{88} normal block at 0x000002CEFAFFCEA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000002CEFAFF69E0, 16 bytes long.
 Data: <`&#175;&#255;&#250;&#206;           > 60 AF FF FA CE 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002CEFAFFAF60, 40 bytes long.
 Data: <&#224;i&#255;&#250;&#206;   &#160;&#206;&#255;&#250;&#206;   > E0 69 FF FA CE 02 00 00 A0 CE FF FA CE 02 00 00 
{65} normal block at 0x000002CEFAFF62B0, 16 bytes long.
 Data: < &#234;&#246; &#246;           > 80 EA F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002CEFAFF6990, 16 bytes long.
 Data: <@&#233;&#246; &#246;           > 40 E9 F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002CEFAFF6F30, 16 bytes long.
 Data: <&#248;W&#243; &#246;           > F8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002CEFAFF6800, 16 bytes long.
 Data: <&#216;W&#243; &#246;           > D8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002CEFAFF6490, 16 bytes long.
 Data: <P &#243; &#246;           > 50 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002CEFAFF6350, 16 bytes long.
 Data: <0 &#243; &#246;           > 30 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002CEFAFF6940, 16 bytes long.
 Data: <&#224; &#243; &#246;           > E0 02 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002CEFAFF6B70, 16 bytes long.
 Data: <  &#243; &#246;           > 10 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002CEFAFF6440, 16 bytes long.
 Data: <p &#243; &#246;           > 70 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002CEFAFF6710, 16 bytes long.
 Data: < &#192;&#241; &#246;           > 18 C0 F1 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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