Task 38685091

Name test_181-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND2035_0
Workunit 31626576
Created 27 Oct 2026, 19:19:42 UTC
Sent 27 Oct 2026, 19:19:48 UTC
Report deadline 1 Nov 2026, 19:19:48 UTC
Received 27 Oct 2026, 20:20:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641350
Run time 29 min 49 sec
CPU time 28 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,410.98 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.29 MB
Peak swap size 5.38 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:51:27 (10200): wrapper (7.9.26016): starting
20:51:27 (10200): 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
20:51:28 (10200): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:51:28 (10200): 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\0\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\0\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
21:20:13 (10200): C:/Windows/system32/cmd.exe exited; CPU time 1695.390625
21:20:13 (10200): 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: 26646251 bytes.
Dumping objects ->
{3835240} normal block at 0x000002782D0B5470, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000002782D0B5400, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000002782D0B5A20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x000002782D0B5860, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000002782D0B59B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x000002782ECE8E40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000002782ECFF710, 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) : {3835151} normal block at 0x000002782D0AE3F0, 8 bytes long.
 Data: <   -x   > 00 00 08 2D 78 02 00 00 
{3834545} normal block at 0x000002782ECFFBE0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002782D0AE8F0, 8 bytes long.
 Data: < D&#212;.x   > 90 44 D4 2E 78 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002782D0B2560, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002782D0A7160, 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 0x000002782D0B60C0, 16 bytes long.
 Data: < r -x           > 18 72 0B 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002782D0B5F80, 16 bytes long.
 Data: <&#240;q -x           > F0 71 0B 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002782D0B02B0, 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 0x000002782D0B6660, 16 bytes long.
 Data: <&#200;q -x           > C8 71 0B 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002782D0B5F30, 16 bytes long.
 Data: <&#160;q -x           > A0 71 0B 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002782D0B6610, 16 bytes long.
 Data: <xq -x           > 78 71 0B 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002782D0B6520, 16 bytes long.
 Data: <Pq -x           > 50 71 0B 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002782D0B57F0, 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 0x000002782D0B6890, 16 bytes long.
 Data: <h&#249;	-x           > 68 F9 09 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002782D0AFB90, 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 0x000002782D0B6B10, 16 bytes long.
 Data: <@&#249;	-x           > 40 F9 09 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002782D0B65C0, 16 bytes long.
 Data: < &#249;	-x           > 18 F9 09 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002782D0B6160, 16 bytes long.
 Data: <&#240;&#248;	-x           > F0 F8 09 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002782D0B61B0, 16 bytes long.
 Data: <&#200;&#248;	-x           > C8 F8 09 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002782D0B6750, 16 bytes long.
 Data: <&#160;&#248;	-x           > A0 F8 09 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002782D0B63E0, 16 bytes long.
 Data: <x&#248;	-x           > 78 F8 09 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002782D0AFC50, 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 0x000002782D0B64D0, 16 bytes long.
 Data: <P&#248;	-x           > 50 F8 09 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002782D09F850, 320 bytes long.
 Data: <&#208;d -x   P&#252; -x   > D0 64 0B 2D 78 02 00 00 50 FC 0A 2D 78 02 00 00 
{276} normal block at 0x000002782D0B6D90, 16 bytes long.
 Data: <0q -x           > 30 71 0B 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002782D0B6980, 16 bytes long.
 Data: < q -x           > 08 71 0B 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002782D0AFEF0, 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 0x000002782D0B6E30, 16 bytes long.
 Data: <&#224;p -x           > E0 70 0B 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002782D0B01F0, 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 0x000002782D0B6340, 16 bytes long.
 Data: <(p -x           > 28 70 0B 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002782D0B62F0, 16 bytes long.
 Data: < p -x           > 00 70 0B 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002782D0B6D40, 16 bytes long.
 Data: <&#216;o -x           > D8 6F 0B 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002782D0B6CA0, 16 bytes long.
 Data: <&#176;o -x           > B0 6F 0B 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002782D0B6CF0, 16 bytes long.
 Data: < o -x           > 88 6F 0B 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002782D0B6390, 16 bytes long.
 Data: <`o -x           > 60 6F 0B 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002782D0B6DE0, 16 bytes long.
 Data: <@Y -x           > 40 59 0B 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002782D0B5940, 40 bytes long.
 Data: <&#224;m -x   @&#142;&#206;.x   > E0 6D 0B 2D 78 02 00 00 40 8E CE 2E 78 02 00 00 
{262} normal block at 0x000002782D0B62A0, 16 bytes long.
 Data: <@o -x           > 40 6F 0B 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002782D0B66B0, 16 bytes long.
 Data: < o -x           > 18 6F 0B 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002782D0AFE90, 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 0x000002782D0B6C00, 16 bytes long.
 Data: <&#240;n -x           > F0 6E 0B 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002782D0B6EF0, 992 bytes long.
 Data: < l -x    &#254; -x   > 00 6C 0B 2D 78 02 00 00 90 FE 0A 2D 78 02 00 00 
{94} normal block at 0x000002782D0B0010, 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 0x000002782D0ADEF0, 16 bytes long.
 Data: < &#205;	-x           > 00 CD 09 2D 78 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002782D09CD00, 40 bytes long.
 Data: <&#240;&#222; -x      -x   > F0 DE 0A 2D 78 02 00 00 10 00 0B 2D 78 02 00 00 
{71} normal block at 0x000002782D0ADB80, 16 bytes long.
 Data: < &#234; o&#246;           > 80 EA 1F 6F F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002782D0ADEA0, 16 bytes long.
 Data: <@&#233; o&#246;           > 40 E9 1F 6F F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002782D0AE710, 16 bytes long.
 Data: <&#248;W o&#246;           > F8 57 1C 6F F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002782D0ADDB0, 16 bytes long.
 Data: <&#216;W o&#246;           > D8 57 1C 6F F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002782D0ADD60, 16 bytes long.
 Data: <P  o&#246;           > 50 04 1C 6F F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002782D0AE670, 16 bytes long.
 Data: <0  o&#246;           > 30 04 1C 6F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002782D0ADF40, 16 bytes long.
 Data: <&#224;  o&#246;           > E0 02 1C 6F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002782D0ADE00, 16 bytes long.
 Data: <   o&#246;           > 10 04 1C 6F F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002782D0ADD10, 16 bytes long.
 Data: <p  o&#246;           > 70 04 1C 6F F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002782D0AE080, 16 bytes long.
 Data: < &#192; o&#246;           > 18 C0 1A 6F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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