Task 38685272

Name test_493-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND9048_0
Workunit 31626747
Created 27 Oct 2026, 20:15:54 UTC
Sent 27 Oct 2026, 20:15:59 UTC
Report deadline 1 Nov 2026, 20:15:59 UTC
Received 27 Oct 2026, 20:50:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615534
Run time 33 min 24 sec
CPU time 30 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 694.24 MB
Peak swap size 3.74 GB
Peak disk usage 4.16 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
21:17:44 (2516): wrapper (7.9.26016): starting
21:17:44 (2516): 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
21:17:46 (2516): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:17:46 (2516): 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\6\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\6\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
21:49:44 (2516): C:/Windows/system32/cmd.exe exited; CPU time 1839.093750
21:49:44 (2516): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 25561365 bytes.
Dumping objects ->
{3835311} normal block at 0x000001D0B56FA490, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x000001D0B56FA570, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000001D0B56D4DA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x000001D0B56D4C50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001D0B56D4BE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x000001D0B72E6D40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001D0B57396A0, 141 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) : {3835222} normal block at 0x000001D0B56CED30, 8 bytes long.
 Data: <  &#176;&#181;&#208;   > 00 00 B0 B5 D0 01 00 00 
{3834575} normal block at 0x000001D0B573A200, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001D0B56CEA10, 8 bytes long.
 Data: <&#176;G7&#183;&#208;   > B0 47 37 B7 D0 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001D0B56D0990, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D0B56C5E60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001D0B56D5CD0, 16 bytes long.
 Data: < fm&#181;&#208;           > 08 66 6D B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D0B56D5DC0, 16 bytes long.
 Data: <&#224;em&#181;&#208;           > E0 65 6D B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D0B56CF9A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001D0B56D6180, 16 bytes long.
 Data: <&#184;em&#181;&#208;           > B8 65 6D B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D0B56D5780, 16 bytes long.
 Data: < em&#181;&#208;           > 90 65 6D B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D0B56D5E10, 16 bytes long.
 Data: <hem&#181;&#208;           > 68 65 6D B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D0B56D5BE0, 16 bytes long.
 Data: <@em&#181;&#208;           > 40 65 6D B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D0B56D4710, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001D0B56D6270, 16 bytes long.
 Data: < &#142;l&#181;&#208;           > 08 8E 6C B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D0B56CF940, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001D0B56D54B0, 16 bytes long.
 Data: <&#224; l&#181;&#208;           > E0 8D 6C B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D0B56D5460, 16 bytes long.
 Data: <&#184; l&#181;&#208;           > B8 8D 6C B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D0B56D58C0, 16 bytes long.
 Data: <  l&#181;&#208;           > 90 8D 6C B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D0B56D5D70, 16 bytes long.
 Data: <h l&#181;&#208;           > 68 8D 6C B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D0B56D5410, 16 bytes long.
 Data: <@ l&#181;&#208;           > 40 8D 6C B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D0B56D5550, 16 bytes long.
 Data: <  l&#181;&#208;           > 18 8D 6C B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D0B56CF8E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001D0B56D5C80, 16 bytes long.
 Data: <&#240;&#140;l&#181;&#208;           > F0 8C 6C B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D0B56C8CF0, 320 bytes long.
 Data: < \m&#181;&#208;   &#224;&#248;l&#181;&#208;   > 80 5C 6D B5 D0 01 00 00 E0 F8 6C B5 D0 01 00 00 
{274} normal block at 0x000001D0B56D6220, 16 bytes long.
 Data: < em&#181;&#208;           > 20 65 6D B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D0B56D5B90, 16 bytes long.
 Data: <&#248;dm&#181;&#208;           > F8 64 6D B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D0B56CF580, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001D0B56D60E0, 16 bytes long.
 Data: <&#208;dm&#181;&#208;           > D0 64 6D B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D0B56CFB20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001D0B56D61D0, 16 bytes long.
 Data: < dm&#181;&#208;           > 18 64 6D B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D0B56D53C0, 16 bytes long.
 Data: <&#240;cm&#181;&#208;           > F0 63 6D B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D0B56D55A0, 16 bytes long.
 Data: <&#200;cm&#181;&#208;           > C8 63 6D B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D0B56D5FA0, 16 bytes long.
 Data: <&#160;cm&#181;&#208;           > A0 63 6D B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D0B56D6130, 16 bytes long.
 Data: <xcm&#181;&#208;           > 78 63 6D B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D0B56D5AA0, 16 bytes long.
 Data: <Pcm&#181;&#208;           > 50 63 6D B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D0B56D6090, 16 bytes long.
 Data: < Gm&#181;&#208;           > 80 47 6D B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D0B56D4780, 40 bytes long.
 Data: < `m&#181;&#208;   @m.&#183;&#208;   > 90 60 6D B5 D0 01 00 00 40 6D 2E B7 D0 01 00 00 
{260} normal block at 0x000001D0B56D5370, 16 bytes long.
 Data: <0cm&#181;&#208;           > 30 63 6D B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D0B56D5B40, 16 bytes long.
 Data: < cm&#181;&#208;           > 08 63 6D B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D0B56CFA00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001D0B56D5D20, 16 bytes long.
 Data: <&#224;bm&#181;&#208;           > E0 62 6D B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D0B56D62E0, 992 bytes long.
 Data: < ]m&#181;&#208;    &#250;l&#181;&#208;   > 20 5D 6D B5 D0 01 00 00 00 FA 6C B5 D0 01 00 00 
{92} normal block at 0x000001D0B56CF760, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001D0B56CEE70, 16 bytes long.
 Data: <&#160;&#210;k&#181;&#208;           > A0 D2 6B B5 D0 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001D0B56BD2A0, 40 bytes long.
 Data: <p&#238;l&#181;&#208;   `&#247;l&#181;&#208;   > 70 EE 6C B5 D0 01 00 00 60 F7 6C B5 D0 01 00 00 
{69} normal block at 0x000001D0B56CF000, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D0B56CF140, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D0B56CEF60, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D0B56CE740, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D0B56CE6A0, 16 bytes long.
 Data: <P   &#247;           > 50 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D0B56CEF10, 16 bytes long.
 Data: <0   &#247;           > 30 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D0B56CE6F0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D0B56CEB50, 16 bytes long.
 Data: <    &#247;           > 10 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D0B56CE600, 16 bytes long.
 Data: <p   &#247;           > 70 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D0B56CEB00, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0D 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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