Task 38688460

Name test_523-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND5395_0
Workunit 31629811
Created 28 Oct 2026, 14:05:16 UTC
Sent 28 Oct 2026, 14:05:19 UTC
Report deadline 2 Nov 2026, 14:05:19 UTC
Received 28 Oct 2026, 16:24:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623034
Run time 25 min 48 sec
CPU time 23 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.16 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
10:59:01 (41156): wrapper (7.9.26016): starting
10:59:01 (41156): 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
10:59:02 (41156): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:59:02 (41156): 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\24\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\24\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
11:24:07 (41156): C:/Windows/system32/cmd.exe exited; CPU time 1426.796875
11:24:07 (41156): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 31007077 bytes.
Dumping objects ->
{3835205} normal block at 0x0000012E13AAD3F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x0000012E11D24790, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x0000012E11D24DB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835172} normal block at 0x0000012E11D24D40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x0000012E11D24C60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835130} normal block at 0x0000012E13AF8480, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835117} normal block at 0x0000012E11D1F340, 8 bytes long.
 Data: <  5 .   > 00 00 35 12 2E 01 00 00 
{3833969} normal block at 0x0000012E11D1EC60, 8 bytes long.
 Data: <&#192;&#163;&#176; .   > C0 A3 B0 13 2E 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000012E11D20EB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000012E11D15FC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000012E11D256C0, 16 bytes long.
 Data: < f&#210; .           > 88 66 D2 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000012E11D25AD0, 16 bytes long.
 Data: <`f&#210; .           > 60 66 D2 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000012E11D20700, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000012E11D25A30, 16 bytes long.
 Data: <8f&#210; .           > 38 66 D2 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000012E11D25DF0, 16 bytes long.
 Data: < f&#210; .           > 10 66 D2 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000012E11D25DA0, 16 bytes long.
 Data: <&#232;e&#210; .           > E8 65 D2 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000012E11D25D50, 16 bytes long.
 Data: <&#192;e&#210; .           > C0 65 D2 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000012E11D24A30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000012E11D25F80, 16 bytes long.
 Data: <  &#209; .           > 18 88 D1 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000012E11D20280, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000012E11D26110, 16 bytes long.
 Data: <&#240;&#135;&#209; .           > F0 87 D1 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000012E11D25B20, 16 bytes long.
 Data: <&#200;&#135;&#209; .           > C8 87 D1 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000012E11D25E90, 16 bytes long.
 Data: <&#160;&#135;&#209; .           > A0 87 D1 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000012E11D25670, 16 bytes long.
 Data: <x&#135;&#209; .           > 78 87 D1 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000012E11D254E0, 16 bytes long.
 Data: <P&#135;&#209; .           > 50 87 D1 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000012E11D255D0, 16 bytes long.
 Data: <(&#135;&#209; .           > 28 87 D1 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000012E11D1F920, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000012E11D26020, 16 bytes long.
 Data: < &#135;&#209; .           > 00 87 D1 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000012E11D18700, 320 bytes long.
 Data: < `&#210; .    &#249;&#209; .   > 20 60 D2 11 2E 01 00 00 20 F9 D1 11 2E 01 00 00 
{280} normal block at 0x0000012E11D25E40, 16 bytes long.
 Data: <&#160;e&#210; .           > A0 65 D2 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000012E11D25A80, 16 bytes long.
 Data: <xe&#210; .           > 78 65 D2 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000012E11D1FB00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000012E11D25990, 16 bytes long.
 Data: <Pe&#210; .           > 50 65 D2 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000012E11D1F8C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000012E11D25C60, 16 bytes long.
 Data: < d&#210; .           > 98 64 D2 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000012E11D259E0, 16 bytes long.
 Data: <pd&#210; .           > 70 64 D2 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000012E11D25F30, 16 bytes long.
 Data: <Hd&#210; .           > 48 64 D2 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000012E11D25490, 16 bytes long.
 Data: < d&#210; .           > 20 64 D2 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000012E11D25D00, 16 bytes long.
 Data: <&#248;c&#210; .           > F8 63 D2 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000012E11D253F0, 16 bytes long.
 Data: <&#208;c&#210; .           > D0 63 D2 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000012E11D26160, 16 bytes long.
 Data: < K&#210; .           > 80 4B D2 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000012E11D24B80, 40 bytes long.
 Data: <`a&#210; .    &#132;&#175; .   > 60 61 D2 11 2E 01 00 00 80 84 AF 13 2E 01 00 00 
{266} normal block at 0x0000012E11D25CB0, 16 bytes long.
 Data: <&#176;c&#210; .           > B0 63 D2 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000012E11D25940, 16 bytes long.
 Data: < c&#210; .           > 88 63 D2 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000012E11D202E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000012E11D25EE0, 16 bytes long.
 Data: <`c&#210; .           > 60 63 D2 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000012E11D26360, 992 bytes long.
 Data: <&#224;^&#210; .   &#224; &#210; .   > E0 5E D2 11 2E 01 00 00 E0 02 D2 11 2E 01 00 00 
{98} normal block at 0x0000012E11D201C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000012E11D1EA80, 16 bytes long.
 Data: <&#208;&#217;&#208; .           > D0 D9 D0 11 2E 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000012E11D0D9D0, 40 bytes long.
 Data: < &#234;&#209; .   &#192; &#210; .   > 80 EA D1 11 2E 01 00 00 C0 01 D2 11 2E 01 00 00 
{75} normal block at 0x0000012E11D1EBC0, 16 bytes long.
 Data: < &#234;`&#139;&#246;           > 80 EA 60 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000012E11D1F020, 16 bytes long.
 Data: <@&#233;`&#139;&#246;           > 40 E9 60 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000012E11D1F110, 16 bytes long.
 Data: <&#248;W]&#139;&#246;           > F8 57 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000012E11D1E9E0, 16 bytes long.
 Data: <&#216;W]&#139;&#246;           > D8 57 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000012E11D1F250, 16 bytes long.
 Data: <P ]&#139;&#246;           > 50 04 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000012E11D1EB70, 16 bytes long.
 Data: <0 ]&#139;&#246;           > 30 04 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000012E11D1EFD0, 16 bytes long.
 Data: <&#224; ]&#139;&#246;           > E0 02 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000012E11D1F2A0, 16 bytes long.
 Data: <  ]&#139;&#246;           > 10 04 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000012E11D1EB20, 16 bytes long.
 Data: <p ]&#139;&#246;           > 70 04 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000012E11D1F570, 16 bytes long.
 Data: < &#192;[&#139;&#246;           > 18 C0 5B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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