Task 38680976

Name test_14-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND4642_0
Workunit 31622669
Created 27 Oct 2026, 2:11:19 UTC
Sent 27 Oct 2026, 2:11:27 UTC
Report deadline 1 Nov 2026, 2:11:27 UTC
Received 27 Oct 2026, 2:52:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619953
Run time 31 min 15 sec
CPU time 27 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.43 MB
Peak swap size 5.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:21:50 (11952): wrapper (7.9.26016): starting
11:21:50 (11952): 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
11:21:52 (11952): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:21:52 (11952): 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 'E:\BoincData\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 'E:\BoincData\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
11:51:37 (11952): C:/Windows/system32/cmd.exe exited; CPU time 1657.093750
11:51:37 (11952): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 39181097 bytes.
Dumping objects ->
{3835399} normal block at 0x000002587FDF6610, 48 bytes long.
 Data: <PATH=E:\BoincDat> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835388} normal block at 0x0000025801DC2B30, 32 bytes long.
 Data: <HOME=E:\BoincDat> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835377} normal block at 0x0000025801DC39D0, 32 bytes long.
 Data: <TMP=E:\BoincData> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835366} normal block at 0x0000025801DC2A70, 32 bytes long.
 Data: <TEMP=E:\BoincDat> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835355} normal block at 0x0000025801DC2650, 32 bytes long.
 Data: <TMPDIR=E:\BoincD> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 44 
{3835324} normal block at 0x000002587FDF65A0, 48 bytes long.
 Data: <PATH=E:\BoincDat> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835313} normal block at 0x0000025801D8FA90, 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) : {3835310} normal block at 0x000002587FDEEFA0, 8 bytes long.
 Data: <    X   > 00 00 E9 01 58 02 00 00 
{3834688} normal block at 0x0000025801D90900, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834077} normal block at 0x000002587FDEEF00, 8 bytes long.
 Data: <  &#216; X   > E0 93 D8 01 58 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002587FDF0100, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002587FDDEEF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000002587FDF7500, 16 bytes long.
 Data: <  &#223; X           > F8 81 DF 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002587FDF7CD0, 16 bytes long.
 Data: <&#208; &#223; X           > D0 81 DF 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002587FDF1400, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000002587FDF7C80, 16 bytes long.
 Data: <&#168; &#223; X           > A8 81 DF 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002587FDF79B0, 16 bytes long.
 Data: <  &#223; X           > 80 81 DF 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002587FDF7870, 16 bytes long.
 Data: <X &#223; X           > 58 81 DF 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002587FDF7C30, 16 bytes long.
 Data: <0 &#223; X           > 30 81 DF 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002587FDF6990, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000002587FDF7B90, 16 bytes long.
 Data: <H&#195;&#221; X           > 48 C3 DD 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002587FDF1100, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000002587FDF7E60, 16 bytes long.
 Data: < &#195;&#221; X           > 20 C3 DD 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002587FDF7AF0, 16 bytes long.
 Data: < &#194;&#221; X           > F8 C2 DD 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002587FDF74B0, 16 bytes long.
 Data: <&#208;&#194;&#221; X           > D0 C2 DD 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002587FDF77D0, 16 bytes long.
 Data: <&#168;&#194;&#221; X           > A8 C2 DD 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002587FDF75F0, 16 bytes long.
 Data: < &#194;&#221; X           > 80 C2 DD 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002587FDF6F60, 16 bytes long.
 Data: <X&#194;&#221; X           > 58 C2 DD 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002587FDF13A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000002587FDF7780, 16 bytes long.
 Data: <0&#194;&#221; X           > 30 C2 DD 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002587FDDC230, 320 bytes long.
 Data: < w&#223; X     &#223; X   > 80 77 DF 7F 58 02 00 00 A0 13 DF 7F 58 02 00 00 
{281} normal block at 0x000002587FDF78C0, 16 bytes long.
 Data: <  &#223; X           > 10 81 DF 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002587FDF7690, 16 bytes long.
 Data: <  &#223; X           > E8 80 DF 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002587FDF1B20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000002587FDF7730, 16 bytes long.
 Data: <&#192; &#223; X           > C0 80 DF 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002587FDF12E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000002587FDF76E0, 16 bytes long.
 Data: <  &#223; X           > 08 80 DF 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002587FDF7370, 16 bytes long.
 Data: <  &#223; X           > E0 7F DF 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002587FDF75A0, 16 bytes long.
 Data: <&#184; &#223; X           > B8 7F DF 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002587FDF7410, 16 bytes long.
 Data: <  &#223; X           > 90 7F DF 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002587FDF7280, 16 bytes long.
 Data: <h &#223; X           > 68 7F DF 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002587FDF7E10, 16 bytes long.
 Data: <@ &#223; X           > 40 7F DF 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002587FDF7550, 16 bytes long.
 Data: < c&#223; X           > E0 63 DF 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002587FDF63E0, 40 bytes long.
 Data: <Pu&#223; X    e&#223; X   > 50 75 DF 7F 58 02 00 00 A0 65 DF 7F 58 02 00 00 
{267} normal block at 0x000002587FDF7A50, 16 bytes long.
 Data: <  &#223; X           > 20 7F DF 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002587FDF7640, 16 bytes long.
 Data: < ~&#223; X           > F8 7E DF 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002587FDF1BE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000002587FDF73C0, 16 bytes long.
 Data: <&#208;~&#223; X           > D0 7E DF 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002587FDF7ED0, 992 bytes long.
 Data: <&#192;s&#223; X     &#223; X   > C0 73 DF 7F 58 02 00 00 E0 1B DF 7F 58 02 00 00 
{99} normal block at 0x000002587FDF19A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000002587FDEED20, 16 bytes long.
 Data: < &#212;&#221; X           > 90 D4 DD 7F 58 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002587FDDD490, 40 bytes long.
 Data: <  &#222; X     &#223; X   > 20 ED DE 7F 58 02 00 00 A0 19 DF 7F 58 02 00 00 
{74} normal block at 0x000002587FDEE4B0, 16 bytes long.
 Data: <                > 80 EA F7 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002587FDEE730, 16 bytes long.
 Data: <@               > 40 E9 F7 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002587FDEE410, 16 bytes long.
 Data: < W              > F8 57 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002587FDEEEB0, 16 bytes long.
 Data: <&#216;W              > D8 57 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002587FDEEE10, 16 bytes long.
 Data: <P               > 50 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002587FDEE320, 16 bytes long.
 Data: <0               > 30 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002587FDEEC30, 16 bytes long.
 Data: <                > E0 02 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002587FDEF090, 16 bytes long.
 Data: <                > 10 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002587FDEE8C0, 16 bytes long.
 Data: <p               > 70 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002587FDEF040, 16 bytes long.
 Data: < &#192;              > 18 C0 F2 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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