Task 38696033

Name test_466-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND5081_0
Workunit 31636692
Created 31 Oct 2026, 18:25:39 UTC
Sent 31 Oct 2026, 18:25:40 UTC
Report deadline 5 Nov 2026, 18:25:40 UTC
Received 31 Oct 2026, 19:07:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654704
Run time 24 min 48 sec
CPU time 22 min 22 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 737.49 MB
Peak swap size 12.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:43:01 (29880): wrapper (7.9.26016): starting
14:43:01 (29880): 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
14:43:02 (29880): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:43:02 (29880): 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\1\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\1\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
15:07:04 (29880): C:/Windows/system32/cmd.exe exited; CPU time 1342.812500
15:07:04 (29880): 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: 29409855 bytes.
Dumping objects ->
{3835395} normal block at 0x0000018F191DB230, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835384} normal block at 0x0000018F191DB4D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835373} normal block at 0x0000018F191DB380, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835362} normal block at 0x0000018F191C6DF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835351} normal block at 0x0000018F191C74F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835320} normal block at 0x0000018F1B54A300, 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) : {3835307} normal block at 0x0000018F191E2F10, 8 bytes long.
 Data: <  q     > 00 00 71 19 8F 01 00 00 
{3833959} normal block at 0x0000018F191E3780, 8 bytes long.
 Data: <&#240;/M     > F0 2F 4D 1B 8F 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000018F191BA810, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018F191BB5A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000018F191E3230, 16 bytes long.
 Data: <&#168;K              > A8 4B 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018F191E38C0, 16 bytes long.
 Data: < K              > 80 4B 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018F191D9710, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000018F191E3730, 16 bytes long.
 Data: <XK              > 58 4B 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018F191E39B0, 16 bytes long.
 Data: <0K              > 30 4B 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018F191E3550, 16 bytes long.
 Data: < K              > 08 4B 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018F191E3640, 16 bytes long.
 Data: <&#224;J              > E0 4A 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018F191C73A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000018F191E3870, 16 bytes long.
 Data: <&#200;v              > C8 76 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018F191D9CB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000018F191E36E0, 16 bytes long.
 Data: <&#160;v              > A0 76 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018F191E31E0, 16 bytes long.
 Data: <xv              > 78 76 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018F191E3190, 16 bytes long.
 Data: <Pv              > 50 76 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018F191E3140, 16 bytes long.
 Data: <(v              > 28 76 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018F191E30F0, 16 bytes long.
 Data: < v              > 00 76 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018F191E3000, 16 bytes long.
 Data: <&#216;u              > D8 75 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018F191D9830, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000018F191E3B40, 16 bytes long.
 Data: <&#176;u              > B0 75 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018F191E75B0, 320 bytes long.
 Data: <@;      0       > 40 3B 1E 19 8F 01 00 00 30 98 1D 19 8F 01 00 00 
{275} normal block at 0x0000018F191E3E10, 16 bytes long.
 Data: <&#192;J              > C0 4A 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018F191E3320, 16 bytes long.
 Data: < J              > 98 4A 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018F191D91D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000018F191E3820, 16 bytes long.
 Data: <pJ              > 70 4A 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018F191D97D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000018F191E30A0, 16 bytes long.
 Data: <&#184;I              > B8 49 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018F191E37D0, 16 bytes long.
 Data: < I              > 90 49 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018F191E3690, 16 bytes long.
 Data: <hI              > 68 49 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018F191E3CD0, 16 bytes long.
 Data: <@I              > 40 49 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018F191E3C30, 16 bytes long.
 Data: < I              > 18 49 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018F191E32D0, 16 bytes long.
 Data: <&#240;H              > F0 48 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018F191E3050, 16 bytes long.
 Data: <`n              > 60 6E 1C 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018F191C6E60, 40 bytes long.
 Data: <P0       &#163;T     > 50 30 1E 19 8F 01 00 00 00 A3 54 1B 8F 01 00 00 
{261} normal block at 0x0000018F191E3A00, 16 bytes long.
 Data: <&#208;H              > D0 48 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018F191E3B90, 16 bytes long.
 Data: <&#168;H              > A8 48 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018F191C4210, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000018F191E3500, 16 bytes long.
 Data: < H              > 80 48 1E 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000018F191E4880, 992 bytes long.
 Data: < 5       B      > 00 35 1E 19 8F 01 00 00 10 42 1C 19 8F 01 00 00 
{93} normal block at 0x0000018F191C3610, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000018F191E3960, 16 bytes long.
 Data: <@o              > 40 6F 1C 19 8F 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000018F191C6F40, 40 bytes long.
 Data: <`9       6      > 60 39 1E 19 8F 01 00 00 10 36 1C 19 8F 01 00 00 
{70} normal block at 0x0000018F191DE030, 16 bytes long.
 Data: < &#234;)4&#246;           > 80 EA 29 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018F191DDF90, 16 bytes long.
 Data: <@&#233;)4&#246;           > 40 E9 29 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018F191DEE40, 16 bytes long.
 Data: <&#248;W&4&#246;           > F8 57 26 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018F191DEDA0, 16 bytes long.
 Data: <&#216;W&4&#246;           > D8 57 26 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018F191DED50, 16 bytes long.
 Data: <P &4&#246;           > 50 04 26 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018F191DE080, 16 bytes long.
 Data: <0 &4&#246;           > 30 04 26 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018F191DE990, 16 bytes long.
 Data: <&#224; &4&#246;           > E0 02 26 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018F191DE8F0, 16 bytes long.
 Data: <  &4&#246;           > 10 04 26 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018F191DED00, 16 bytes long.
 Data: <p &4&#246;           > 70 04 26 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018F191DECB0, 16 bytes long.
 Data: < &#192;$4&#246;           > 18 C0 24 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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