Task 38656034

Name test_75-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND0467_0
Workunit 31599780
Created 24 Oct 2026, 10:14:30 UTC
Sent 24 Oct 2026, 10:14:56 UTC
Report deadline 29 Oct 2026, 10:14:56 UTC
Received 24 Oct 2026, 14:33:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630147
Run time 58 min 14 sec
CPU time 52 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.23 MB
Peak swap size 6.86 GB
Peak disk usage 3.69 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:35:32 (10600): wrapper (7.9.26016): starting
22:35:32 (10600): 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
22:35:33 (10600): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:35:33 (10600): 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\13\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\13\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
23:33:07 (10600): C:/Windows/system32/cmd.exe exited; CPU time 3144.765625
23:33:07 (10600): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 51789465 bytes.
Dumping objects ->
{3835659} normal block at 0x000002A156ECC340, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835648} normal block at 0x000002A156ECC9D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835637} normal block at 0x000002A154ED4AD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835626} normal block at 0x000002A154ED49F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835615} normal block at 0x000002A154ED4BB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835584} normal block at 0x000002A156F15480, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835573} normal block at 0x000002A156F2E420, 102 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) : {3835570} normal block at 0x000002A154ECED20, 8 bytes long.
 Data: <   T&#161;   > 00 00 EA 54 A1 02 00 00 
{3834789} normal block at 0x000002A156F2DDF0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x000002A154ECEA50, 8 bytes long.
 Data: <&#176;A V&#161;   > B0 41 F7 56 A1 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002A154ED09D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002A154EC6290, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002A154ED6410, 16 bytes long.
 Data: <Hh T&#161;           > 48 68 ED 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002A154ED61E0, 16 bytes long.
 Data: < h T&#161;           > 20 68 ED 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002A154ED0340, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002A154ED6280, 16 bytes long.
 Data: < g T&#161;           > F8 67 ED 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A154ED5920, 16 bytes long.
 Data: <&#208;g T&#161;           > D0 67 ED 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A154ED58D0, 16 bytes long.
 Data: <&#168;g T&#161;           > A8 67 ED 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002A154ED6460, 16 bytes long.
 Data: < g T&#161;           > 80 67 ED 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A154ED4750, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002A154ED6190, 16 bytes long.
 Data: <&#216;&#181; T&#161;           > D8 B5 EB 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A154ECFD40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002A154ED56F0, 16 bytes long.
 Data: <&#176;&#181; T&#161;           > B0 B5 EB 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A154ED6140, 16 bytes long.
 Data: < &#181; T&#161;           > 88 B5 EB 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A154ED64B0, 16 bytes long.
 Data: <`&#181; T&#161;           > 60 B5 EB 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A154ED5FB0, 16 bytes long.
 Data: <8&#181; T&#161;           > 38 B5 EB 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A154ED5CE0, 16 bytes long.
 Data: < &#181; T&#161;           > 10 B5 EB 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A154ED5830, 16 bytes long.
 Data: < &#180; T&#161;           > E8 B4 EB 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A154ECFAA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002A154ED6000, 16 bytes long.
 Data: <&#192;&#180; T&#161;           > C0 B4 EB 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002A154EBB4C0, 320 bytes long.
 Data: < ` T&#161;      T&#161;   > 00 60 ED 54 A1 02 00 00 A0 FA EC 54 A1 02 00 00 
{277} normal block at 0x000002A154ED5880, 16 bytes long.
 Data: <`g T&#161;           > 60 67 ED 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002A154ED60F0, 16 bytes long.
 Data: <8g T&#161;           > 38 67 ED 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A154ECFB60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002A154ED57E0, 16 bytes long.
 Data: < g T&#161;           > 10 67 ED 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A154ED0640, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002A154ED55B0, 16 bytes long.
 Data: <Xf T&#161;           > 58 66 ED 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A154ED56A0, 16 bytes long.
 Data: <0f T&#161;           > 30 66 ED 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A154ED5A10, 16 bytes long.
 Data: < f T&#161;           > 08 66 ED 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A154ED6230, 16 bytes long.
 Data: < e T&#161;           > E0 65 ED 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A154ED5650, 16 bytes long.
 Data: <&#184;e T&#161;           > B8 65 ED 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A154ED5790, 16 bytes long.
 Data: < e T&#161;           > 90 65 ED 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A154ED6050, 16 bytes long.
 Data: <`J T&#161;           > 60 4A ED 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A154ED4A60, 40 bytes long.
 Data: <P` T&#161;    T V&#161;   > 50 60 ED 54 A1 02 00 00 80 54 F1 56 A1 02 00 00 
{263} normal block at 0x000002A154ED5970, 16 bytes long.
 Data: <pe T&#161;           > 70 65 ED 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A154ED5740, 16 bytes long.
 Data: <He T&#161;           > 48 65 ED 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A154ECF920, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002A154ED60A0, 16 bytes long.
 Data: < e T&#161;           > 20 65 ED 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A154ED6520, 992 bytes long.
 Data: < ` T&#161;      T&#161;   > A0 60 ED 54 A1 02 00 00 20 F9 EC 54 A1 02 00 00 
{95} normal block at 0x000002A154ED0280, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002A154ECF5E0, 16 bytes long.
 Data: <   T&#161;           > 10 EF EB 54 A1 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002A154EBEF10, 40 bytes long.
 Data: <   T&#161;      T&#161;   > E0 F5 EC 54 A1 02 00 00 80 02 ED 54 A1 02 00 00 
{70} normal block at 0x000002A154ECF1D0, 16 bytes long.
 Data: <  yb            > 80 EA 79 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002A154ECF180, 16 bytes long.
 Data: <@ yb            > 40 E9 79 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A154ECEE10, 16 bytes long.
 Data: < Wvb            > F8 57 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A154ECF540, 16 bytes long.
 Data: <&#216;Wvb            > D8 57 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A154ECF4F0, 16 bytes long.
 Data: <P vb            > 50 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A154ECEF50, 16 bytes long.
 Data: <0 vb            > 30 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A154ECEF00, 16 bytes long.
 Data: <  vb            > E0 02 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A154ECEC30, 16 bytes long.
 Data: <  vb            > 10 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002A154ECF4A0, 16 bytes long.
 Data: <p vb            > 70 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002A154ECEBE0, 16 bytes long.
 Data: < &#192;tb            > 18 C0 74 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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