Task 38697972

Name test_470-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND4702_0
Workunit 31638507
Created 2 Nov 2026, 1:00:01 UTC
Sent 2 Nov 2026, 1:00:07 UTC
Report deadline 7 Nov 2026, 1:00:07 UTC
Received 2 Nov 2026, 1:46:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641729
Run time 43 min 11 sec
CPU time 29 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.06 MB
Peak swap size 8.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:03:18 (8692): wrapper (7.9.26016): starting
14:03:20 (8692): 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
14:03:26 (8692): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:03:26 (8692): 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\2\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\2\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
14:45:27 (8692): C:/Windows/system32/cmd.exe exited; CPU time 1757.156250
14:45:27 (8692): 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: 29963911 bytes.
Dumping objects ->
{3835199} normal block at 0x0000014E35775B20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835188} normal block at 0x0000014E35775AB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x0000014E35775A40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835166} normal block at 0x0000014E35776140, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x0000014E35775FF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835124} normal block at 0x0000014E373FC5F0, 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) : {3835110} normal block at 0x0000014E3576F9E0, 8 bytes long.
 Data: <  p5N   > 00 00 70 35 4E 01 00 00 
{3833953} normal block at 0x0000014E3576F530, 8 bytes long.
 Data: <&#224;&#145;E7N   > E0 91 45 37 4E 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000014E35765A80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000014E35766980, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000014E35774E80, 16 bytes long.
 Data: <&#248;Xw5N           > F8 58 77 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000014E357753D0, 16 bytes long.
 Data: <&#208;Xw5N           > D0 58 77 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014E35770CA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000014E35775100, 16 bytes long.
 Data: <&#168;Xw5N           > A8 58 77 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014E357751F0, 16 bytes long.
 Data: < Xw5N           > 80 58 77 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014E35774890, 16 bytes long.
 Data: <XXw5N           > 58 58 77 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000014E35774DE0, 16 bytes long.
 Data: <0Xw5N           > 30 58 77 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014E35775C00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000014E35775010, 16 bytes long.
 Data: <&#200; v5N           > C8 01 76 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014E35770040, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000014E35775290, 16 bytes long.
 Data: <&#160; v5N           > A0 01 76 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014E35774840, 16 bytes long.
 Data: <x v5N           > 78 01 76 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000014E35774AC0, 16 bytes long.
 Data: <P v5N           > 50 01 76 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014E357747F0, 16 bytes long.
 Data: <( v5N           > 28 01 76 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014E35775380, 16 bytes long.
 Data: <  v5N           > 00 01 76 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000014E35774660, 16 bytes long.
 Data: <&#216; v5N           > D8 00 76 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014E357706A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000014E35774E30, 16 bytes long.
 Data: <&#176; v5N           > B0 00 76 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014E357600B0, 320 bytes long.
 Data: <0Nw5N   &#160; w5N   > 30 4E 77 35 4E 01 00 00 A0 06 77 35 4E 01 00 00 
{272} normal block at 0x0000014E35774B60, 16 bytes long.
 Data: < Xw5N           > 10 58 77 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000014E35775150, 16 bytes long.
 Data: <&#232;Ww5N           > E8 57 77 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000014E35770880, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000014E35775060, 16 bytes long.
 Data: <&#192;Ww5N           > C0 57 77 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014E35770B20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000014E35775560, 16 bytes long.
 Data: < Ww5N           > 08 57 77 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000014E357750B0, 16 bytes long.
 Data: <&#224;Vw5N           > E0 56 77 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014E35774CF0, 16 bytes long.
 Data: <&#184;Vw5N           > B8 56 77 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014E357752E0, 16 bytes long.
 Data: < Vw5N           > 90 56 77 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000014E35774700, 16 bytes long.
 Data: <hVw5N           > 68 56 77 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000014E35774FC0, 16 bytes long.
 Data: <@Vw5N           > 40 56 77 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000014E35775240, 16 bytes long.
 Data: < &#197;u5N           > 80 C5 75 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000014E3575C580, 40 bytes long.
 Data: <@Rw5N   &#240;&#197;?7N   > 40 52 77 35 4E 01 00 00 F0 C5 3F 37 4E 01 00 00 
{258} normal block at 0x0000014E35774610, 16 bytes long.
 Data: < Vw5N           > 20 56 77 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000014E35774C00, 16 bytes long.
 Data: <&#248;Uw5N           > F8 55 77 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000014E357701C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000014E35774D90, 16 bytes long.
 Data: <&#208;Uw5N           > D0 55 77 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000014E357755D0, 992 bytes long.
 Data: < Mw5N   &#192; w5N   > 90 4D 77 35 4E 01 00 00 C0 01 77 35 4E 01 00 00 
{90} normal block at 0x0000014E35770EE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000014E3576F2B0, 16 bytes long.
 Data: <&#208;&#214;u5N           > D0 D6 75 35 4E 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000014E3575D6D0, 40 bytes long.
 Data: <&#176;&#242;v5N   &#224; w5N   > B0 F2 76 35 4E 01 00 00 E0 0E 77 35 4E 01 00 00 
{67} normal block at 0x0000014E3576FC60, 16 bytes long.
 Data: < &#234;&#213;&#162;&#246;           > 80 EA D5 A2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000014E3576F760, 16 bytes long.
 Data: <@&#233;&#213;&#162;&#246;           > 40 E9 D5 A2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000014E3576F080, 16 bytes long.
 Data: <&#248;W&#210;&#162;&#246;           > F8 57 D2 A2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000014E3576FC10, 16 bytes long.
 Data: <&#216;W&#210;&#162;&#246;           > D8 57 D2 A2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000014E3576FCB0, 16 bytes long.
 Data: <P &#210;&#162;&#246;           > 50 04 D2 A2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000014E3576FBC0, 16 bytes long.
 Data: <0 &#210;&#162;&#246;           > 30 04 D2 A2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000014E3576FDA0, 16 bytes long.
 Data: <&#224; &#210;&#162;&#246;           > E0 02 D2 A2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000014E3576F3A0, 16 bytes long.
 Data: <  &#210;&#162;&#246;           > 10 04 D2 A2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000014E3576F210, 16 bytes long.
 Data: <p &#210;&#162;&#246;           > 70 04 D2 A2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000014E3576F800, 16 bytes long.
 Data: < &#192;&#208;&#162;&#246;           > 18 C0 D0 A2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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