Task 38666380

Name test_660-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND9848_0
Workunit 31609319
Created 25 Oct 2026, 3:01:03 UTC
Sent 25 Oct 2026, 3:23:03 UTC
Report deadline 30 Oct 2026, 3:23:03 UTC
Received 25 Oct 2026, 4:32:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613320
Run time 18 min 17 sec
CPU time 17 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 50,491.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.43 MB
Peak swap size 10.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:14:06 (17776): wrapper (7.9.26016): starting
05:14:06 (17776): 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
05:14:07 (17776): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:14:07 (17776): 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
05:31:33 (17776): C:/Windows/system32/cmd.exe exited; CPU time 1022.187500
05:31:33 (17776): 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: 16371241 bytes.
Dumping objects ->
{3835498} normal block at 0x00000207B05E63B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835487} normal block at 0x00000207B05E6490, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835476} normal block at 0x00000207B05E6570, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835465} normal block at 0x00000207B05E6340, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835454} normal block at 0x00000207B05E61F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835423} normal block at 0x00000207B23F66B0, 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) : {3835410} normal block at 0x00000207B05DD870, 8 bytes long.
 Data: <  &#175;&#176;    > 00 00 AF B0 07 02 00 00 
{3833963} normal block at 0x00000207B05DD190, 8 bytes long.
 Data: <@&#170;`&#176;    > 40 AA 60 B0 07 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000207B05E1900, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000207B05CEC60, 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 0x00000207B05E4EE0, 16 bytes long.
 Data: <&#232;^^&#176;            > E8 5E 5E B0 07 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000207B05E4D00, 16 bytes long.
 Data: <&#192;^^&#176;            > C0 5E 5E B0 07 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000207B05DED50, 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 0x00000207B05E4E90, 16 bytes long.
 Data: < ^^&#176;            > 98 5E 5E B0 07 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000207B05E5160, 16 bytes long.
 Data: <p^^&#176;            > 70 5E 5E B0 07 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000207B05E4A30, 16 bytes long.
 Data: <H^^&#176;            > 48 5E 5E B0 07 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000207B05E4DA0, 16 bytes long.
 Data: < ^^&#176;            > 20 5E 5E B0 07 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000207B05E6030, 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 0x00000207B05E50C0, 16 bytes long.
 Data: <  ]&#176;            > 08 04 5D B0 07 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000207B05DEC90, 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 0x00000207B05E5340, 16 bytes long.
 Data: <&#224; ]&#176;            > E0 03 5D B0 07 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000207B05E5660, 16 bytes long.
 Data: <&#184; ]&#176;            > B8 03 5D B0 07 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000207B05E4E40, 16 bytes long.
 Data: <  ]&#176;            > 90 03 5D B0 07 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000207B05E4CB0, 16 bytes long.
 Data: <h ]&#176;            > 68 03 5D B0 07 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000207B05E4F30, 16 bytes long.
 Data: <@ ]&#176;            > 40 03 5D B0 07 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000207B05E5070, 16 bytes long.
 Data: <  ]&#176;            > 18 03 5D B0 07 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000207B05DF1D0, 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 0x00000207B05E48F0, 16 bytes long.
 Data: <&#240; ]&#176;            > F0 02 5D B0 07 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000207B05D02F0, 320 bytes long.
 Data: <&#240;H^&#176;    &#208;&#241;]&#176;    > F0 48 5E B0 07 02 00 00 D0 F1 5D B0 07 02 00 00 
{277} normal block at 0x00000207B05E4A80, 16 bytes long.
 Data: < ^^&#176;            > 00 5E 5E B0 07 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000207B05E4C10, 16 bytes long.
 Data: <&#216;]^&#176;            > D8 5D 5E B0 07 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000207B05DF830, 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 0x00000207B05E4800, 16 bytes long.
 Data: <&#176;]^&#176;            > B0 5D 5E B0 07 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000207B05DF710, 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 0x00000207B05E55C0, 16 bytes long.
 Data: <&#248;\^&#176;            > F8 5C 5E B0 07 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000207B05E4D50, 16 bytes long.
 Data: <&#208;\^&#176;            > D0 5C 5E B0 07 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000207B05E5020, 16 bytes long.
 Data: <&#168;\^&#176;            > A8 5C 5E B0 07 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000207B05E4B70, 16 bytes long.
 Data: < \^&#176;            > 80 5C 5E B0 07 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000207B05E4FD0, 16 bytes long.
 Data: <X\^&#176;            > 58 5C 5E B0 07 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000207B05E4DF0, 16 bytes long.
 Data: <0\^&#176;            > 30 5C 5E B0 07 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000207B05E5250, 16 bytes long.
 Data: <&#192;&#247;\&#176;            > C0 F7 5C B0 07 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000207B05CF7C0, 40 bytes long.
 Data: <PR^&#176;    &#176;f?&#178;    > 50 52 5E B0 07 02 00 00 B0 66 3F B2 07 02 00 00 
{263} normal block at 0x00000207B05E48A0, 16 bytes long.
 Data: < \^&#176;            > 10 5C 5E B0 07 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000207B05E5570, 16 bytes long.
 Data: <&#232;[^&#176;            > E8 5B 5E B0 07 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000207B05DF110, 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 0x00000207B05E4AD0, 16 bytes long.
 Data: <&#192;[^&#176;            > C0 5B 5E B0 07 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000207B05E5BC0, 992 bytes long.
 Data: <&#208;J^&#176;     &#241;]&#176;    > D0 4A 5E B0 07 02 00 00 10 F1 5D B0 07 02 00 00 
{95} normal block at 0x00000207B05DEF90, 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 0x00000207B05DDDC0, 16 bytes long.
 Data: <  ]&#176;            > 10 00 5D B0 07 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000207B05D0010, 40 bytes long.
 Data: <&#192;&#221;]&#176;     &#239;]&#176;    > C0 DD 5D B0 07 02 00 00 90 EF 5D B0 07 02 00 00 
{72} normal block at 0x00000207B05DDC30, 16 bytes long.
 Data: < &#234;r&#176;&#247;           > 80 EA 72 B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000207B05DDAF0, 16 bytes long.
 Data: <@&#233;r&#176;&#247;           > 40 E9 72 B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000207B05DDEB0, 16 bytes long.
 Data: <&#248;Wo&#176;&#247;           > F8 57 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000207B05DD140, 16 bytes long.
 Data: <&#216;Wo&#176;&#247;           > D8 57 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000207B05DD280, 16 bytes long.
 Data: <P o&#176;&#247;           > 50 04 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000207B05DD820, 16 bytes long.
 Data: <0 o&#176;&#247;           > 30 04 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000207B05DDF00, 16 bytes long.
 Data: <&#224; o&#176;&#247;           > E0 02 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000207B05DD730, 16 bytes long.
 Data: <  o&#176;&#247;           > 10 04 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000207B05DDAA0, 16 bytes long.
 Data: <p o&#176;&#247;           > 70 04 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000207B05DD640, 16 bytes long.
 Data: < &#192;m&#176;&#247;           > 18 C0 6D B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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