Task 38673312

Name test_179-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND6332_1
Workunit 31615362
Created 26 Oct 2026, 2:03:17 UTC
Sent 26 Oct 2026, 2:03:26 UTC
Report deadline 31 Oct 2026, 2:03:26 UTC
Received 26 Oct 2026, 3:18:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654841
Run time 28 min 29 sec
CPU time 25 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.84 MB
Peak swap size 8.42 GB
Peak disk usage 3.59 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:48:12 (11648): wrapper (7.9.26016): starting
04:48:12 (11648): 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
04:48:13 (11648): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:48:13 (11648): 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 'D:\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 'D:\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
05:16:01 (11648): C:/Windows/system32/cmd.exe exited; CPU time 1553.156250
05:16:01 (11648): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 22781325 bytes.
Dumping objects ->
{3835233} normal block at 0x000002BE683C1500, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x000002BE683C1260, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000002BE683C1810, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x000002BE683C1490, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x000002BE683C1340, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x000002BE6847BB40, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x000002BE683CB7D0, 160 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) : {3835144} normal block at 0x000002BE667D6EC0, 8 bytes long.
 Data: <  zf&#190;   > 00 00 7A 66 BE 02 00 00 
{3834543} normal block at 0x000002BE683CB1B0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833946} normal block at 0x000002BE667D64C0, 8 bytes long.
 Data: <&#224;GVh&#190;   > E0 47 56 68 BE 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000002BE667E0EB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002BE667CC6C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x000002BE667E2A80, 16 bytes long.
 Data: <&#168;3~f&#190;           > A8 33 7E 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002BE667E25D0, 16 bytes long.
 Data: < 3~f&#190;           > 80 33 7E 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002BE667DD0D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x000002BE667E2440, 16 bytes long.
 Data: <X3~f&#190;           > 58 33 7E 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002BE667E2800, 16 bytes long.
 Data: <03~f&#190;           > 30 33 7E 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002BE667E23A0, 16 bytes long.
 Data: < 3~f&#190;           > 08 33 7E 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002BE667E2120, 16 bytes long.
 Data: <&#224;2~f&#190;           > E0 32 7E 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002BE667DDA50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x000002BE667E29E0, 16 bytes long.
 Data: <X&#198;|f&#190;           > 58 C6 7C 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002BE667DCEF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x000002BE667E20D0, 16 bytes long.
 Data: <0&#198;|f&#190;           > 30 C6 7C 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002BE667E22B0, 16 bytes long.
 Data: < &#198;|f&#190;           > 08 C6 7C 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002BE667E23F0, 16 bytes long.
 Data: <&#224;&#197;|f&#190;           > E0 C5 7C 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002BE667E1F90, 16 bytes long.
 Data: <&#184;&#197;|f&#190;           > B8 C5 7C 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002BE667E2170, 16 bytes long.
 Data: < &#197;|f&#190;           > 90 C5 7C 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002BE667E28A0, 16 bytes long.
 Data: <h&#197;|f&#190;           > 68 C5 7C 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002BE667DD430, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x000002BE667E2030, 16 bytes long.
 Data: <@&#197;|f&#190;           > 40 C5 7C 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002BE667CC540, 320 bytes long.
 Data: <0 ~f&#190;   0&#212;}f&#190;   > 30 20 7E 66 BE 02 00 00 30 D4 7D 66 BE 02 00 00 
{266} normal block at 0x000002BE667E2620, 16 bytes long.
 Data: <&#192;2~f&#190;           > C0 32 7E 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002BE667E21C0, 16 bytes long.
 Data: < 2~f&#190;           > 98 32 7E 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002BE667DD4F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x000002BE667E2300, 16 bytes long.
 Data: <p2~f&#190;           > 70 32 7E 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002BE667DCCB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x000002BE667E1E50, 16 bytes long.
 Data: <&#184;1~f&#190;           > B8 31 7E 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002BE667E1E00, 16 bytes long.
 Data: < 1~f&#190;           > 90 31 7E 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002BE667E1F40, 16 bytes long.
 Data: <h1~f&#190;           > 68 31 7E 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002BE667E1FE0, 16 bytes long.
 Data: <@1~f&#190;           > 40 31 7E 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002BE667E1EA0, 16 bytes long.
 Data: < 1~f&#190;           > 18 31 7E 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002BE667E2580, 16 bytes long.
 Data: <&#240;0~f&#190;           > F0 30 7E 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002BE667E2350, 16 bytes long.
 Data: <p&#217;}f&#190;           > 70 D9 7D 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002BE667DD970, 40 bytes long.
 Data: <P#~f&#190;   @&#187;Gh&#190;   > 50 23 7E 66 BE 02 00 00 40 BB 47 68 BE 02 00 00 
{252} normal block at 0x000002BE667E2940, 16 bytes long.
 Data: <&#208;0~f&#190;           > D0 30 7E 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002BE667E1D60, 16 bytes long.
 Data: <&#168;0~f&#190;           > A8 30 7E 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002BE667DD7F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x000002BE667E1EF0, 16 bytes long.
 Data: < 0~f&#190;           > 80 30 7E 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x000002BE667E3080, 992 bytes long.
 Data: <&#240; ~f&#190;   &#240;&#215;}f&#190;   > F0 1E 7E 66 BE 02 00 00 F0 D7 7D 66 BE 02 00 00 
{84} normal block at 0x000002BE667DD730, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x000002BE667D6830, 16 bytes long.
 Data: < &#223;}f&#190;           > 20 DF 7D 66 BE 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002BE667DDF20, 40 bytes long.
 Data: <0h}f&#190;   0&#215;}f&#190;   > 30 68 7D 66 BE 02 00 00 30 D7 7D 66 BE 02 00 00 
{61} normal block at 0x000002BE667D6A10, 16 bytes long.
 Data: < &#234;w&#167;&#246;           > 80 EA 77 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002BE667D7000, 16 bytes long.
 Data: <@&#233;w&#167;&#246;           > 40 E9 77 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002BE667D6FB0, 16 bytes long.
 Data: <&#248;Wt&#167;&#246;           > F8 57 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002BE667D6E20, 16 bytes long.
 Data: <&#216;Wt&#167;&#246;           > D8 57 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002BE667D6BA0, 16 bytes long.
 Data: <P t&#167;&#246;           > 50 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002BE667D6B50, 16 bytes long.
 Data: <0 t&#167;&#246;           > 30 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002BE667D66A0, 16 bytes long.
 Data: <&#224; t&#167;&#246;           > E0 02 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002BE667D6F60, 16 bytes long.
 Data: <  t&#167;&#246;           > 10 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000002BE667D6560, 16 bytes long.
 Data: <p t&#167;&#246;           > 70 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000002BE667D6C90, 16 bytes long.
 Data: < &#192;r&#167;&#246;           > 18 C0 72 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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