Task 38684324

Name test_250-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND9091_0
Workunit 31625843
Created 27 Oct 2026, 15:49:50 UTC
Sent 27 Oct 2026, 15:49:57 UTC
Report deadline 1 Nov 2026, 15:49:57 UTC
Received 27 Oct 2026, 16:21:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648521
Run time 26 min 42 sec
CPU time 24 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,690.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.66 MB
Peak swap size 9.78 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:52:22 (15628): wrapper (7.9.26016): starting
11:52:22 (15628): 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
11:52:23 (15628): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:52:23 (15628): 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
12:18:17 (15628): C:/Windows/system32/cmd.exe exited; CPU time 1480.453125
12:18:17 (15628): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 23802195 bytes.
Dumping objects ->
{3835280} normal block at 0x000002BCF6084590, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x000002BCF6084520, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x000002BCF60844B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835247} normal block at 0x000002BCF6084440, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000002BCF60843D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835205} normal block at 0x000002BCF7D16490, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x000002BCF60DCB00, 140 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) : {3835191} normal block at 0x000002BCF607E7F0, 8 bytes long.
 Data: <   &#246;&#188;   > 00 00 00 F6 BC 02 00 00 
{3834567} normal block at 0x000002BCF60DC620, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000002BCF607EF70, 8 bytes long.
 Data: < 8 &#246;&#188;   > 90 38 08 F6 BC 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002BCF6080690, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002BCF606F460, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000002BCF6085620, 16 bytes long.
 Data: <8O &#246;&#188;           > 38 4F 08 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002BCF6085C60, 16 bytes long.
 Data: < O &#246;&#188;           > 10 4F 08 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002BCF607FE70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000002BCF6085FD0, 16 bytes long.
 Data: <&#232;N &#246;&#188;           > E8 4E 08 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002BCF6085170, 16 bytes long.
 Data: <&#192;N &#246;&#188;           > C0 4E 08 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002BCF6085F30, 16 bytes long.
 Data: < N &#246;&#188;           > 98 4E 08 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002BCF6085120, 16 bytes long.
 Data: <pN &#246;&#188;           > 70 4E 08 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002BCF6084600, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000002BCF6085BC0, 16 bytes long.
 Data: < &#233; &#246;&#188;           > 98 E9 06 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002BCF607F390, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000002BCF6085F80, 16 bytes long.
 Data: <p&#233; &#246;&#188;           > 70 E9 06 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002BCF6085080, 16 bytes long.
 Data: <H&#233; &#246;&#188;           > 48 E9 06 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002BCF6085760, 16 bytes long.
 Data: < &#233; &#246;&#188;           > 20 E9 06 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002BCF6085EE0, 16 bytes long.
 Data: <&#248;&#232; &#246;&#188;           > F8 E8 06 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002BCF6085E40, 16 bytes long.
 Data: <&#208;&#232; &#246;&#188;           > D0 E8 06 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002BCF6085B70, 16 bytes long.
 Data: <&#168;&#232; &#246;&#188;           > A8 E8 06 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002BCF607F750, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000002BCF60856C0, 16 bytes long.
 Data: < &#232; &#246;&#188;           > 80 E8 06 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002BCF606E880, 320 bytes long.
 Data: <&#192;V &#246;&#188;   P&#247; &#246;&#188;   > C0 56 08 F6 BC 02 00 00 50 F7 07 F6 BC 02 00 00 
{273} normal block at 0x000002BCF6085490, 16 bytes long.
 Data: <PN &#246;&#188;           > 50 4E 08 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002BCF6085350, 16 bytes long.
 Data: <(N &#246;&#188;           > 28 4E 08 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002BCF607FB10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000002BCF6085DA0, 16 bytes long.
 Data: < N &#246;&#188;           > 00 4E 08 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002BCF607FBD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000002BCF60858F0, 16 bytes long.
 Data: <HM &#246;&#188;           > 48 4D 08 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002BCF60855D0, 16 bytes long.
 Data: < M &#246;&#188;           > 20 4D 08 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002BCF6085C10, 16 bytes long.
 Data: <&#248;L &#246;&#188;           > F8 4C 08 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002BCF6085E90, 16 bytes long.
 Data: <&#208;L &#246;&#188;           > D0 4C 08 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002BCF6085DF0, 16 bytes long.
 Data: <&#168;L &#246;&#188;           > A8 4C 08 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002BCF607EF20, 16 bytes long.
 Data: < L &#246;&#188;           > 80 4C 08 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002BCF607E6B0, 16 bytes long.
 Data: <&#224;F &#246;&#188;           > E0 46 08 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002BCF60846E0, 40 bytes long.
 Data: <&#176;&#230; &#246;&#188;    d&#209;&#247;&#188;   > B0 E6 07 F6 BC 02 00 00 90 64 D1 F7 BC 02 00 00 
{259} normal block at 0x000002BCF607EE80, 16 bytes long.
 Data: <`L &#246;&#188;           > 60 4C 08 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002BCF607EDE0, 16 bytes long.
 Data: <8L &#246;&#188;           > 38 4C 08 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002BCF607F6F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000002BCF607E020, 16 bytes long.
 Data: < L &#246;&#188;           > 10 4C 08 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002BCF6084C10, 992 bytes long.
 Data: < &#224; &#246;&#188;   &#240;&#246; &#246;&#188;   > 20 E0 07 F6 BC 02 00 00 F0 F6 07 F6 BC 02 00 00 
{91} normal block at 0x000002BCF607FAB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000002BCF607E7A0, 16 bytes long.
 Data: < &#198; &#246;&#188;           > 90 C6 06 F6 BC 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002BCF606C690, 40 bytes long.
 Data: <&#160;&#231; &#246;&#188;   &#176;&#250; &#246;&#188;   > A0 E7 07 F6 BC 02 00 00 B0 FA 07 F6 BC 02 00 00 
{68} normal block at 0x000002BCF607E840, 16 bytes long.
 Data: < &#234;H{&#247;           > 80 EA 48 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002BCF607E430, 16 bytes long.
 Data: <@&#233;H{&#247;           > 40 E9 48 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002BCF607E750, 16 bytes long.
 Data: <&#248;WE{&#247;           > F8 57 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002BCF607EED0, 16 bytes long.
 Data: <&#216;WE{&#247;           > D8 57 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002BCF607E5C0, 16 bytes long.
 Data: <P E{&#247;           > 50 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002BCF607EC00, 16 bytes long.
 Data: <0 E{&#247;           > 30 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002BCF607E700, 16 bytes long.
 Data: <&#224; E{&#247;           > E0 02 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002BCF607EB10, 16 bytes long.
 Data: <  E{&#247;           > 10 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002BCF607EAC0, 16 bytes long.
 Data: <p E{&#247;           > 70 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002BCF607E390, 16 bytes long.
 Data: < &#192;C{&#247;           > 18 C0 43 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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