Task 38679714

Name test_255-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND7006_0
Workunit 31621478
Created 26 Oct 2026, 21:29:40 UTC
Sent 26 Oct 2026, 21:29:45 UTC
Report deadline 31 Oct 2026, 21:29:45 UTC
Received 26 Oct 2026, 21:56:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630626
Run time 23 min 38 sec
CPU time 21 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 40,323.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.18 MB
Peak swap size 5.45 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:31:14 (33812): wrapper (7.9.26016): starting
17:31:14 (33812): 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
17:31:15 (33812): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:31:15 (33812): 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\12\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\12\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
17:56:04 (33812): C:/Windows/system32/cmd.exe exited; CPU time 1263.734375
17:56:04 (33812): 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: 34030063 bytes.
Dumping objects ->
{3835576} normal block at 0x00000169135DD420, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835565} normal block at 0x00000169135DD340, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835554} normal block at 0x0000016911885590, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835543} normal block at 0x00000169118854B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x00000169118853D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835501} normal block at 0x00000169136273C0, 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) : {3835488} normal block at 0x000001691187E510, 8 bytes long.
 Data: <  &#217; i   > 00 00 D9 11 69 01 00 00 
{3833961} normal block at 0x000001691187E010, 8 bytes long.
 Data: <&#192;Ch i   > C0 43 68 13 69 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000016911882590, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000016911876B20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000016911886640, 16 bytes long.
 Data: < q  i           > 08 71 88 11 69 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000016911886D20, 16 bytes long.
 Data: <&#224;p  i           > E0 70 88 11 69 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001691187FBA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000016911886C80, 16 bytes long.
 Data: <&#184;p  i           > B8 70 88 11 69 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016911885F60, 16 bytes long.
 Data: < p  i           > 90 70 88 11 69 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016911886960, 16 bytes long.
 Data: <hp  i           > 68 70 88 11 69 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016911886820, 16 bytes long.
 Data: <@p  i           > 40 70 88 11 69 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016911885360, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000016911886320, 16 bytes long.
 Data: <&#200;&#247;&#134; i           > C8 F7 86 11 69 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001691187F780, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000016911885FB0, 16 bytes long.
 Data: <&#160;&#247;&#134; i           > A0 F7 86 11 69 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016911886730, 16 bytes long.
 Data: <x&#247;&#134; i           > 78 F7 86 11 69 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016911886500, 16 bytes long.
 Data: <P&#247;&#134; i           > 50 F7 86 11 69 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016911886AA0, 16 bytes long.
 Data: <(&#247;&#134; i           > 28 F7 86 11 69 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016911886230, 16 bytes long.
 Data: < &#247;&#134; i           > 00 F7 86 11 69 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016911886CD0, 16 bytes long.
 Data: <&#216;&#246;&#134; i           > D8 F6 86 11 69 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000169118803E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000169118867D0, 16 bytes long.
 Data: <&#176;&#246;&#134; i           > B0 F6 86 11 69 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001691186F6B0, 320 bytes long.
 Data: <&#208;g  i   &#224;   i   > D0 67 88 11 69 01 00 00 E0 03 88 11 69 01 00 00 
{276} normal block at 0x00000169118861E0, 16 bytes long.
 Data: < p  i           > 20 70 88 11 69 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000169118865F0, 16 bytes long.
 Data: <&#248;o  i           > F8 6F 88 11 69 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001691187F900, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000016911886140, 16 bytes long.
 Data: <&#208;o  i           > D0 6F 88 11 69 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016911880200, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000016911886550, 16 bytes long.
 Data: < o  i           > 18 6F 88 11 69 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016911886190, 16 bytes long.
 Data: <&#240;n  i           > F0 6E 88 11 69 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016911886B90, 16 bytes long.
 Data: <&#200;n  i           > C8 6E 88 11 69 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016911886A50, 16 bytes long.
 Data: <&#160;n  i           > A0 6E 88 11 69 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016911886000, 16 bytes long.
 Data: <xn  i           > 78 6E 88 11 69 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016911886370, 16 bytes long.
 Data: <Pn  i           > 50 6E 88 11 69 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016911886910, 16 bytes long.
 Data: <@T  i           > 40 54 88 11 69 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016911885440, 40 bytes long.
 Data: < i  i   &#192;sb i   > 10 69 88 11 69 01 00 00 C0 73 62 13 69 01 00 00 
{262} normal block at 0x0000016911886D70, 16 bytes long.
 Data: <0n  i           > 30 6E 88 11 69 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000169118865A0, 16 bytes long.
 Data: < n  i           > 08 6E 88 11 69 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001691187FEA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000016911886690, 16 bytes long.
 Data: <&#224;m  i           > E0 6D 88 11 69 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000016911886DE0, 992 bytes long.
 Data: < f  i   &#160;&#254;&#135; i   > 90 66 88 11 69 01 00 00 A0 FE 87 11 69 01 00 00 
{94} normal block at 0x00000169118802C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001691187D930, 16 bytes long.
 Data: <&#208;&#243;&#134; i           > D0 F3 86 11 69 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001691186F3D0, 40 bytes long.
 Data: <0&#217;&#135; i   &#192;   i   > 30 D9 87 11 69 01 00 00 C0 02 88 11 69 01 00 00 
{71} normal block at 0x000001691187E6A0, 16 bytes long.
 Data: < &#234;X2&#247;           > 80 EA 58 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001691187D7F0, 16 bytes long.
 Data: <@&#233;X2&#247;           > 40 E9 58 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001691187E420, 16 bytes long.
 Data: <&#248;WU2&#247;           > F8 57 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001691187E600, 16 bytes long.
 Data: <&#216;WU2&#247;           > D8 57 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001691187E5B0, 16 bytes long.
 Data: <P U2&#247;           > 50 04 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001691187D7A0, 16 bytes long.
 Data: <0 U2&#247;           > 30 04 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001691187E560, 16 bytes long.
 Data: <&#224; U2&#247;           > E0 02 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001691187E100, 16 bytes long.
 Data: <  U2&#247;           > 10 04 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001691187E650, 16 bytes long.
 Data: <p U2&#247;           > 70 04 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001691187E6F0, 16 bytes long.
 Data: < &#192;S2&#247;           > 18 C0 53 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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