Task 38664712

Name test_334-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND7879_0
Workunit 31607841
Created 24 Oct 2026, 23:56:48 UTC
Sent 24 Oct 2026, 23:57:00 UTC
Report deadline 29 Oct 2026, 23:57:00 UTC
Received 25 Oct 2026, 4:47:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654590
Run time 1 hours 13 min 28 sec
CPU time 1 hours 6 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.72 MB
Peak swap size 6.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:34:50 (5468): wrapper (7.9.26016): starting
20:34:50 (5468): 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
20:34:59 (5468): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:34:59 (5468): 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\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 'C:\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
21:46:49 (5468): C:/Windows/system32/cmd.exe exited; CPU time 3984.171875
21:46:49 (5468): 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: 68020159 bytes.
Dumping objects ->
{3835449} normal block at 0x0000018985DB1AD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835438} normal block at 0x0000018984054600, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x00000189840546E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835416} normal block at 0x0000018984054670, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x0000018984054520, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835374} normal block at 0x0000018985CDC2C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835363} normal block at 0x00000189840AC620, 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) : {3835360} normal block at 0x000001898404F720, 8 bytes long.
 Data: <  f&#132;&#137;   > 00 00 66 84 89 01 00 00 
{3834646} normal block at 0x00000189840AC890, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001898404F270, 8 bytes long.
 Data: <` &#219;&#133;&#137;   > 60 07 DB 85 89 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000018984050550, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001898403EE80, 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 0x00000189840551C0, 16 bytes long.
 Data: <8O &#132;&#137;           > 38 4F 05 84 89 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018984055B20, 16 bytes long.
 Data: < O &#132;&#137;           > 10 4F 05 84 89 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001898404E4E0, 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 0x0000018984055080, 16 bytes long.
 Data: <&#232;N &#132;&#137;           > E8 4E 05 84 89 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000189840554E0, 16 bytes long.
 Data: <&#192;N &#132;&#137;           > C0 4E 05 84 89 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018984055AD0, 16 bytes long.
 Data: < N &#132;&#137;           > 98 4E 05 84 89 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018984055850, 16 bytes long.
 Data: <pN &#132;&#137;           > 70 4E 05 84 89 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018984054440, 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 0x0000018984055990, 16 bytes long.
 Data: <&#216;&#252; &#132;&#137;           > D8 FC 03 84 89 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001898404E000, 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 0x0000018984055FD0, 16 bytes long.
 Data: <&#176;&#252; &#132;&#137;           > B0 FC 03 84 89 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018984055F80, 16 bytes long.
 Data: < &#252; &#132;&#137;           > 88 FC 03 84 89 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018984055A80, 16 bytes long.
 Data: <`&#252; &#132;&#137;           > 60 FC 03 84 89 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018984055A30, 16 bytes long.
 Data: <8&#252; &#132;&#137;           > 38 FC 03 84 89 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018984055C60, 16 bytes long.
 Data: < &#252; &#132;&#137;           > 10 FC 03 84 89 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000189840553F0, 16 bytes long.
 Data: <&#232;&#251; &#132;&#137;           > E8 FB 03 84 89 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001898404E240, 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 0x0000018984055D00, 16 bytes long.
 Data: <&#192;&#251; &#132;&#137;           > C0 FB 03 84 89 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001898403FBC0, 320 bytes long.
 Data: < ] &#132;&#137;   @&#226; &#132;&#137;   > 00 5D 05 84 89 01 00 00 40 E2 04 84 89 01 00 00 
{272} normal block at 0x00000189840556C0, 16 bytes long.
 Data: <PN &#132;&#137;           > 50 4E 05 84 89 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018984055490, 16 bytes long.
 Data: <(N &#132;&#137;           > 28 4E 05 84 89 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001898404E1E0, 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 0x0000018984055800, 16 bytes long.
 Data: < N &#132;&#137;           > 00 4E 05 84 89 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001898404EDE0, 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 0x0000018984055440, 16 bytes long.
 Data: <HM &#132;&#137;           > 48 4D 05 84 89 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018984055710, 16 bytes long.
 Data: < M &#132;&#137;           > 20 4D 05 84 89 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000189840559E0, 16 bytes long.
 Data: <&#248;L &#132;&#137;           > F8 4C 05 84 89 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001898404FBD0, 16 bytes long.
 Data: <&#208;L &#132;&#137;           > D0 4C 05 84 89 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001898404F860, 16 bytes long.
 Data: <&#168;L &#132;&#137;           > A8 4C 05 84 89 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001898404F450, 16 bytes long.
 Data: < L &#132;&#137;           > 80 4C 05 84 89 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001898404F0E0, 16 bytes long.
 Data: <`C &#132;&#137;           > 60 43 05 84 89 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018984054360, 40 bytes long.
 Data: <&#224;&#240; &#132;&#137;   &#192;&#194;&#205;&#133;&#137;   > E0 F0 04 84 89 01 00 00 C0 C2 CD 85 89 01 00 00 
{258} normal block at 0x000001898404F360, 16 bytes long.
 Data: <`L &#132;&#137;           > 60 4C 05 84 89 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001898404F6D0, 16 bytes long.
 Data: <8L &#132;&#137;           > 38 4C 05 84 89 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001898404E780, 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 0x000001898404FE50, 16 bytes long.
 Data: < L &#132;&#137;           > 10 4C 05 84 89 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000018984054C10, 992 bytes long.
 Data: <P&#254; &#132;&#137;    &#231; &#132;&#137;   > 50 FE 04 84 89 01 00 00 80 E7 04 84 89 01 00 00 
{90} normal block at 0x000001898404E180, 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 0x000001898404EFA0, 16 bytes long.
 Data: <@&#224; &#132;&#137;           > 40 E0 03 84 89 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001898403E040, 40 bytes long.
 Data: <&#160;&#239; &#132;&#137;    &#225; &#132;&#137;   > A0 EF 04 84 89 01 00 00 80 E1 04 84 89 01 00 00 
{67} normal block at 0x000001898404FAE0, 16 bytes long.
 Data: < &#234;\7&#247;           > 80 EA 5C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001898404F810, 16 bytes long.
 Data: <@&#233;\7&#247;           > 40 E9 5C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001898404F900, 16 bytes long.
 Data: <&#248;WY7&#247;           > F8 57 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001898404F1D0, 16 bytes long.
 Data: <&#216;WY7&#247;           > D8 57 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001898404FEA0, 16 bytes long.
 Data: <P Y7&#247;           > 50 04 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001898404F680, 16 bytes long.
 Data: <0 Y7&#247;           > 30 04 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001898404F630, 16 bytes long.
 Data: <&#224; Y7&#247;           > E0 02 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001898404EF50, 16 bytes long.
 Data: <  Y7&#247;           > 10 04 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001898404F8B0, 16 bytes long.
 Data: <p Y7&#247;           > 70 04 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001898404FE00, 16 bytes long.
 Data: < &#192;W7&#247;           > 18 C0 57 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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