Task 38681578

Name test_54-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND4596_0
Workunit 31623239
Created 27 Oct 2026, 4:31:17 UTC
Sent 27 Oct 2026, 4:31:19 UTC
Report deadline 1 Nov 2026, 4:31:19 UTC
Received 27 Oct 2026, 10:05:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639498
Run time 1 hours 40 min 4 sec
CPU time 1 hours 24 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,085.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 663.96 MB
Peak swap size 2.26 GB
Peak disk usage 3.45 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:26:37 (7468): wrapper (7.9.26016): starting
02:26:37 (7468): 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
02:26:40 (7468): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:26:40 (7468): 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\7\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\7\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
04:04:26 (7468): C:/Windows/system32/cmd.exe exited; CPU time 5057.140625
04:04:26 (7468): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 64595643 bytes.
Dumping objects ->
{3835279} normal block at 0x000002110FE30E60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835268} normal block at 0x000002110FE30DF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x000002110FE31250, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835246} normal block at 0x000002110FE31330, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x000002110FE308B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835204} normal block at 0x000002110FF22360, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x000002110E443D20, 235 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) : {3835190} normal block at 0x000002110E4374E0, 8 bytes long.
 Data: <        > 00 00 04 10 11 02 00 00 
{3834573} normal block at 0x000002110E4440B0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000002110E438020, 8 bytes long.
 Data: < J&#251;     > 10 4A FB 0F 11 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002110E441210, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002110E42CDE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000002110E442D40, 16 bytes long.
 Data: <8HD             > 38 48 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002110E442B60, 16 bytes long.
 Data: < HD             > 10 48 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002110E43DE80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000002110E442DE0, 16 bytes long.
 Data: <&#232;GD             > E8 47 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002110E442A70, 16 bytes long.
 Data: <&#192;GD             > C0 47 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002110E443150, 16 bytes long.
 Data: < GD             > 98 47 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002110E442CF0, 16 bytes long.
 Data: <pGD             > 70 47 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002110E43D930, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000002110E442A20, 16 bytes long.
 Data: <("D             > 28 22 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002110E43DE20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000002110E442980, 16 bytes long.
 Data: < "D             > 00 22 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002110E442CA0, 16 bytes long.
 Data: <&#216;!D             > D8 21 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002110E443100, 16 bytes long.
 Data: <&#176;!D             > B0 21 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002110E442930, 16 bytes long.
 Data: < !D             > 88 21 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002110E442610, 16 bytes long.
 Data: <`!D             > 60 21 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002110E442840, 16 bytes long.
 Data: <8!D             > 38 21 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002110E43EC60, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{270} normal block at 0x000002110E442B10, 16 bytes long.
 Data: < !D             > 10 21 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002110E442110, 320 bytes long.
 Data: < +D     `&#236;C     > 10 2B 44 0E 11 02 00 00 60 EC 43 0E 11 02 00 00 
{268} normal block at 0x000002110E443010, 16 bytes long.
 Data: <PGD             > 50 47 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002110E4431F0, 16 bytes long.
 Data: <(GD             > 28 47 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002110E43E1E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000002110E4430B0, 16 bytes long.
 Data: < GD             > 00 47 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002110E43E8A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000002110E442700, 16 bytes long.
 Data: <HFD             > 48 46 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002110E442480, 16 bytes long.
 Data: < FD             > 20 46 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002110E443060, 16 bytes long.
 Data: <&#248;ED             > F8 45 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002110E442570, 16 bytes long.
 Data: <&#208;ED             > D0 45 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002110E442430, 16 bytes long.
 Data: <&#168;ED             > A8 45 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002110E4425C0, 16 bytes long.
 Data: < ED             > 80 45 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002110E442ED0, 16 bytes long.
 Data: < &#218;C             > 10 DA 43 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002110E43DA10, 40 bytes long.
 Data: <&#208;.D     `#&#242;     > D0 2E 44 0E 11 02 00 00 60 23 F2 0F 11 02 00 00 
{254} normal block at 0x000002110E442390, 16 bytes long.
 Data: <`ED             > 60 45 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002110E4428E0, 16 bytes long.
 Data: <8ED             > 38 45 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002110E43EA20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000002110E4432E0, 16 bytes long.
 Data: < ED             > 10 45 44 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002110E444510, 992 bytes long.
 Data: <&#224;2D      &#234;C     > E0 32 44 0E 11 02 00 00 20 EA 43 0E 11 02 00 00 
{86} normal block at 0x000002110E43E660, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000002110E438110, 16 bytes long.
 Data: <&#224;&#215;C             > E0 D7 43 0E 11 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002110E43D7E0, 40 bytes long.
 Data: <  C     `&#230;C     > 10 81 43 0E 11 02 00 00 60 E6 43 0E 11 02 00 00 
{63} normal block at 0x000002110E437710, 16 bytes long.
 Data: < &#234;&#237;f&#247;           > 80 EA ED 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002110E4378F0, 16 bytes long.
 Data: <@&#233;&#237;f&#247;           > 40 E9 ED 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002110E4373A0, 16 bytes long.
 Data: <&#248;W&#234;f&#247;           > F8 57 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002110E437FD0, 16 bytes long.
 Data: <&#216;W&#234;f&#247;           > D8 57 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002110E437F80, 16 bytes long.
 Data: <P &#234;f&#247;           > 50 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002110E4378A0, 16 bytes long.
 Data: <0 &#234;f&#247;           > 30 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002110E4376C0, 16 bytes long.
 Data: <&#224; &#234;f&#247;           > E0 02 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002110E437EE0, 16 bytes long.
 Data: <  &#234;f&#247;           > 10 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002110E437850, 16 bytes long.
 Data: <p &#234;f&#247;           > 70 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002110E4381B0, 16 bytes long.
 Data: < &#192;&#232;f&#247;           > 18 C0 E8 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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