Task 38684671

Name test_996-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND4488_0
Workunit 31626178
Created 27 Oct 2026, 17:26:11 UTC
Sent 27 Oct 2026, 17:26:15 UTC
Report deadline 1 Nov 2026, 17:26:15 UTC
Received 27 Oct 2026, 18:00:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615534
Run time 33 min 26 sec
CPU time 30 min 38 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 691.66 MB
Peak swap size 3.74 GB
Peak disk usage 3.60 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
18:28:09 (2548): wrapper (7.9.26016): starting
18:28:09 (2548): 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
18:28:11 (2548): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:28:11 (2548): 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
19:00:07 (2548): C:/Windows/system32/cmd.exe exited; CPU time 1838.625000
19:00:07 (2548): 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: 25536871 bytes.
Dumping objects ->
{3835311} normal block at 0x00000142CD9B7F90, 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 0x00000142CD9B7A50, 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 0x00000142CBD94BE0, 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 0x00000142CBD94C50, 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 0x00000142CBD94B70, 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 0x00000142CD9C8140, 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 0x00000142CBDF9770, 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 0x00000142CBD8EA60, 8 bytes long.
 Data: <   &#204;B   > 00 00 19 CC 42 01 00 00 
{3834575} normal block at 0x00000142CBDF96A0, 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 0x00000142CBD8ED80, 8 bytes long.
 Data: < 6&#162;&#205;B   > 10 36 A2 CD 42 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000142CBD90850, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000142CBD860A0, 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 0x00000142CBD95E10, 16 bytes long.
 Data: < f&#217;&#203;B           > 08 66 D9 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000142CBD96270, 16 bytes long.
 Data: <&#224;e&#217;&#203;B           > E0 65 D9 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000142CBD8FFA0, 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 0x00000142CBD95FF0, 16 bytes long.
 Data: <&#184;e&#217;&#203;B           > B8 65 D9 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000142CBD96040, 16 bytes long.
 Data: < e&#217;&#203;B           > 90 65 D9 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000142CBD95DC0, 16 bytes long.
 Data: <he&#217;&#203;B           > 68 65 D9 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000142CBD95460, 16 bytes long.
 Data: <@e&#217;&#203;B           > 40 65 D9 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000142CBD94E10, 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 0x00000142CBD95960, 16 bytes long.
 Data: < &#229;&#215;&#203;B           > 98 E5 D7 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000142CBD8F940, 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 0x00000142CBD95780, 16 bytes long.
 Data: <p&#229;&#215;&#203;B           > 70 E5 D7 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000142CBD95550, 16 bytes long.
 Data: <H&#229;&#215;&#203;B           > 48 E5 D7 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000142CBD95AA0, 16 bytes long.
 Data: < &#229;&#215;&#203;B           > 20 E5 D7 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000142CBD96180, 16 bytes long.
 Data: <&#248;&#228;&#215;&#203;B           > F8 E4 D7 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000142CBD95410, 16 bytes long.
 Data: <&#208;&#228;&#215;&#203;B           > D0 E4 D7 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000142CBD95910, 16 bytes long.
 Data: <&#168;&#228;&#215;&#203;B           > A8 E4 D7 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000142CBD90060, 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 0x00000142CBD956E0, 16 bytes long.
 Data: < &#228;&#215;&#203;B           > 80 E4 D7 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000142CBD7E480, 320 bytes long.
 Data: <&#224;V&#217;&#203;B   ` &#217;&#203;B   > E0 56 D9 CB 42 01 00 00 60 00 D9 CB 42 01 00 00 
{274} normal block at 0x00000142CBD953C0, 16 bytes long.
 Data: < e&#217;&#203;B           > 20 65 D9 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000142CBD95D20, 16 bytes long.
 Data: <&#248;d&#217;&#203;B           > F8 64 D9 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000142CBD8FE80, 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 0x00000142CBD96130, 16 bytes long.
 Data: <&#208;d&#217;&#203;B           > D0 64 D9 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000142CBD90240, 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 0x00000142CBD95320, 16 bytes long.
 Data: < d&#217;&#203;B           > 18 64 D9 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000142CBD95C30, 16 bytes long.
 Data: <&#240;c&#217;&#203;B           > F0 63 D9 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000142CBD95A00, 16 bytes long.
 Data: <&#200;c&#217;&#203;B           > C8 63 D9 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000142CBD95CD0, 16 bytes long.
 Data: <&#160;c&#217;&#203;B           > A0 63 D9 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000142CBD95730, 16 bytes long.
 Data: <xc&#217;&#203;B           > 78 63 D9 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000142CBD95690, 16 bytes long.
 Data: <Pc&#217;&#203;B           > 50 63 D9 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000142CBD95870, 16 bytes long.
 Data: <&#208;H&#217;&#203;B           > D0 48 D9 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000142CBD948D0, 40 bytes long.
 Data: <pX&#217;&#203;B   @ &#156;&#205;B   > 70 58 D9 CB 42 01 00 00 40 81 9C CD 42 01 00 00 
{260} normal block at 0x00000142CBD95820, 16 bytes long.
 Data: <0c&#217;&#203;B           > 30 63 D9 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000142CBD95A50, 16 bytes long.
 Data: < c&#217;&#203;B           > 08 63 D9 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000142CBD8F8E0, 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 0x00000142CBD958C0, 16 bytes long.
 Data: <&#224;b&#217;&#203;B           > E0 62 D9 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000142CBD962E0, 992 bytes long.
 Data: <&#192;X&#217;&#203;B   &#224;&#248;&#216;&#203;B   > C0 58 D9 CB 42 01 00 00 E0 F8 D8 CB 42 01 00 00 
{92} normal block at 0x00000142CBD8F460, 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 0x00000142CBD8E920, 16 bytes long.
 Data: < &#241;&#215;&#203;B           > 10 F1 D7 CB 42 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000142CBD7F110, 40 bytes long.
 Data: < &#233;&#216;&#203;B   `&#244;&#216;&#203;B   > 20 E9 D8 CB 42 01 00 00 60 F4 D8 CB 42 01 00 00 
{69} normal block at 0x00000142CBD8E6F0, 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 0x00000142CBD8EBF0, 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 0x00000142CBD8EA10, 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 0x00000142CBD8E7E0, 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 0x00000142CBD8EB00, 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 0x00000142CBD8E420, 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 0x00000142CBD8EC40, 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 0x00000142CBD8E8D0, 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 0x00000142CBD8EBA0, 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 0x00000142CBD8E3D0, 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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