Task 38685104

Name test_306-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND6290_0
Workunit 31626589
Created 27 Oct 2026, 19:22:57 UTC
Sent 27 Oct 2026, 19:23:08 UTC
Report deadline 1 Nov 2026, 19:23:08 UTC
Received 27 Oct 2026, 20:47:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648831
Run time 28 min 5 sec
CPU time 25 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.51 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:12:27 (22292): wrapper (7.9.26016): starting
05:12:27 (22292): 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
05:12:29 (22292): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:12:29 (22292): 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\28\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\28\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
05:38:51 (22292): C:/Windows/system32/cmd.exe exited; CPU time 1502.640625
05:38:52 (22292): 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: 28098659 bytes.
Dumping objects ->
{3835368} normal block at 0x000002447BD4DBF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835357} normal block at 0x000002447BD4DFE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835346} normal block at 0x000002447BD4D4F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835335} normal block at 0x000002447BD4E2F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835324} normal block at 0x000002447BD4DCD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835293} normal block at 0x000002447DD2E4D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835282} normal block at 0x000002447DD42740, 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) : {3835279} normal block at 0x000002447BD1EB20, 8 bytes long.
 Data: <  &#205;{D   > 00 00 CD 7B 44 02 00 00 
{3834663} normal block at 0x000002447DD42950, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x000002447BD1E260, 8 bytes long.
 Data: <`&#219;&#208;{D   > 60 DB D0 7B 44 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002447BD19170, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002447BD113A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002447BD2A700, 16 bytes long.
 Data: <(&#179;&#210;{D           > 28 B3 D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002447BD2A250, 16 bytes long.
 Data: < &#179;&#210;{D           > 00 B3 D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002447BD25C10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002447BD29E90, 16 bytes long.
 Data: <&#216;&#178;&#210;{D           > D8 B2 D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002447BD2A6B0, 16 bytes long.
 Data: <&#176;&#178;&#210;{D           > B0 B2 D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002447BD2ADE0, 16 bytes long.
 Data: < &#178;&#210;{D           > 88 B2 D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002447BD29F30, 16 bytes long.
 Data: <`&#178;&#210;{D           > 60 B2 D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002447BD249A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002447BD2A390, 16 bytes long.
 Data: <( &#210;{D           > 28 9D D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002447BD25B50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002447BD2AB10, 16 bytes long.
 Data: <  &#210;{D           > 00 9D D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002447BD2A7F0, 16 bytes long.
 Data: <&#216; &#210;{D           > D8 9C D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002447BD29EE0, 16 bytes long.
 Data: <&#176; &#210;{D           > B0 9C D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002447BD2A0C0, 16 bytes long.
 Data: <  &#210;{D           > 88 9C D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002447BD2A340, 16 bytes long.
 Data: <` &#210;{D           > 60 9C D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002447BD2A930, 16 bytes long.
 Data: <8 &#210;{D           > 38 9C D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002447BD26690, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002447BD2AAC0, 16 bytes long.
 Data: <  &#210;{D           > 10 9C D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002447BD29C10, 320 bytes long.
 Data: <&#192;&#170;&#210;{D    f&#210;{D   > C0 AA D2 7B 44 02 00 00 90 66 D2 7B 44 02 00 00 
{277} normal block at 0x000002447BD2ACF0, 16 bytes long.
 Data: <@&#178;&#210;{D           > 40 B2 D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002447BD2ABB0, 16 bytes long.
 Data: < &#178;&#210;{D           > 18 B2 D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002447BD26210, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002447BD2A660, 16 bytes long.
 Data: < &#177;&#210;{D           > F0 B1 D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002447BD25C70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002447BD2A8E0, 16 bytes long.
 Data: <8&#177;&#210;{D           > 38 B1 D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002447BD2A980, 16 bytes long.
 Data: < &#177;&#210;{D           > 10 B1 D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002447BD2A750, 16 bytes long.
 Data: < &#176;&#210;{D           > E8 B0 D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002447BD2AD90, 16 bytes long.
 Data: <&#192;&#176;&#210;{D           > C0 B0 D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002447BD2A070, 16 bytes long.
 Data: < &#176;&#210;{D           > 98 B0 D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002447BD2A610, 16 bytes long.
 Data: <p&#176;&#210;{D           > 70 B0 D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002447BD2AD40, 16 bytes long.
 Data: <pG&#210;{D           > 70 47 D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002447BD24770, 40 bytes long.
 Data: <@&#173;&#210;{D   &#208; &#210;}D   > 40 AD D2 7B 44 02 00 00 D0 E4 D2 7D 44 02 00 00 
{263} normal block at 0x000002447BD2A4D0, 16 bytes long.
 Data: <P&#176;&#210;{D           > 50 B0 D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002447BD2A7A0, 16 bytes long.
 Data: <(&#176;&#210;{D           > 28 B0 D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002447BD25A30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002447BD2A570, 16 bytes long.
 Data: < &#176;&#210;{D           > 00 B0 D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002447BD2B000, 992 bytes long.
 Data: <p&#165;&#210;{D   0Z&#210;{D   > 70 A5 D2 7B 44 02 00 00 30 5A D2 7B 44 02 00 00 
{95} normal block at 0x000002447BD25E50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002447BD1E490, 16 bytes long.
 Data: < J&#210;{D           > 80 4A D2 7B 44 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002447BD24A80, 40 bytes long.
 Data: <  &#209;{D   P^&#210;{D   > 90 E4 D1 7B 44 02 00 00 50 5E D2 7B 44 02 00 00 
{70} normal block at 0x000002447BD1E350, 16 bytes long.
 Data: <   ;            > 80 EA 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002447BD1E9E0, 16 bytes long.
 Data: <@  ;            > 40 E9 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002447BD1E0D0, 16 bytes long.
 Data: < W ;            > F8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002447BD1E8F0, 16 bytes long.
 Data: <&#216;W ;            > D8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002447BD1E440, 16 bytes long.
 Data: <P  ;            > 50 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002447BD1DE50, 16 bytes long.
 Data: <0  ;            > 30 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002447BD1E210, 16 bytes long.
 Data: <   ;            > E0 02 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002447BD1E1C0, 16 bytes long.
 Data: <   ;            > 10 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002447BD1EA80, 16 bytes long.
 Data: <p  ;            > 70 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002447BD1E760, 16 bytes long.
 Data: < &#192; :            > 18 C0 FE 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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