Task 38689040

Name test_111-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND4126_0
Workunit 31630321
Created 28 Oct 2026, 17:52:13 UTC
Sent 28 Oct 2026, 17:52:14 UTC
Report deadline 2 Nov 2026, 17:52:14 UTC
Received 28 Oct 2026, 18:54:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642289
Run time 1 hours 2 min 4 sec
CPU time 58 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,947.61 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.64 MB
Peak swap size 6.90 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
13:54:21 (41888): wrapper (7.9.26016): starting
13:54:21 (41888): 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
13:54:23 (41888): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:54:23 (41888): 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\11\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\11\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
14:54:38 (41888): C:/Windows/system32/cmd.exe exited; CPU time 3499.625000
14:54:38 (41888): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 74825873 bytes.
Dumping objects ->
{3835525} normal block at 0x00000132603F6F50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x00000132603F7B90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835503} normal block at 0x00000132603F7A40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835492} normal block at 0x00000132603F7880, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x00000132603F7260, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835450} normal block at 0x000001326035CD90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835437} normal block at 0x000001325E80CF10, 8 bytes long.
 Data: <  &#214;^2   > 00 00 D6 5E 32 01 00 00 
{3833969} normal block at 0x000001325E80D690, 8 bytes long.
 Data: < G ^2   > 10 47 81 5E 32 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001325E810EF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001325E805BB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000001325E8157A0, 16 bytes long.
 Data: <&#248;^ ^2           > F8 5E 81 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001325E814F30, 16 bytes long.
 Data: <&#208;^ ^2           > D0 5E 81 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001325E80EC60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000001325E815750, 16 bytes long.
 Data: <&#168;^ ^2           > A8 5E 81 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001325E815700, 16 bytes long.
 Data: < ^ ^2           > 80 5E 81 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001325E8155C0, 16 bytes long.
 Data: <X^ ^2           > 58 5E 81 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001325E814C10, 16 bytes long.
 Data: <0^ ^2           > 30 5E 81 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001325E8134C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000001325E8156B0, 16 bytes long.
 Data: <H&#184; ^2           > 48 B8 7F 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001325E80E8A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000001325E814F80, 16 bytes long.
 Data: < &#184; ^2           > 20 B8 7F 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001325E815480, 16 bytes long.
 Data: <&#248;&#183; ^2           > F8 B7 7F 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001325E8152A0, 16 bytes long.
 Data: <&#208;&#183; ^2           > D0 B7 7F 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001325E815660, 16 bytes long.
 Data: <&#168;&#183; ^2           > A8 B7 7F 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001325E815B10, 16 bytes long.
 Data: < &#183; ^2           > 80 B7 7F 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001325E815B60, 16 bytes long.
 Data: <X&#183; ^2           > 58 B7 7F 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001325E80EEA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000001325E815390, 16 bytes long.
 Data: <0&#183; ^2           > 30 B7 7F 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001325E7FB730, 320 bytes long.
 Data: < S ^2   &#160;&#238; ^2   > 90 53 81 5E 32 01 00 00 A0 EE 80 5E 32 01 00 00 
{280} normal block at 0x000001325E815A70, 16 bytes long.
 Data: < ^ ^2           > 10 5E 81 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001325E815570, 16 bytes long.
 Data: <&#232;] ^2           > E8 5D 81 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001325E80E840, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000001325E815250, 16 bytes long.
 Data: <&#192;] ^2           > C0 5D 81 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001325E80ECC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000001325E815430, 16 bytes long.
 Data: < ] ^2           > 08 5D 81 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001325E815610, 16 bytes long.
 Data: <&#224;\ ^2           > E0 5C 81 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001325E8153E0, 16 bytes long.
 Data: <&#184;\ ^2           > B8 5C 81 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001325E8159D0, 16 bytes long.
 Data: < \ ^2           > 90 5C 81 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001325E815A20, 16 bytes long.
 Data: <h\ ^2           > 68 5C 81 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001325E8152F0, 16 bytes long.
 Data: <@\ ^2           > 40 5C 81 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001325E815070, 16 bytes long.
 Data: < 9 ^2           > 90 39 81 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001325E813990, 40 bytes long.
 Data: <pP ^2    &#205;5`2   > 70 50 81 5E 32 01 00 00 90 CD 35 60 32 01 00 00 
{266} normal block at 0x000001325E8154D0, 16 bytes long.
 Data: < \ ^2           > 20 5C 81 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001325E815110, 16 bytes long.
 Data: <&#248;[ ^2           > F8 5B 81 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001325E80EA20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000001325E814EE0, 16 bytes long.
 Data: <&#208;[ ^2           > D0 5B 81 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001325E815BD0, 992 bytes long.
 Data: <&#224;N ^2    &#234; ^2   > E0 4E 81 5E 32 01 00 00 20 EA 80 5E 32 01 00 00 
{98} normal block at 0x000001325E80EB40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000001325E80CCE0, 16 bytes long.
 Data: <`7 ^2           > 60 37 81 5E 32 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001325E813760, 40 bytes long.
 Data: <&#224;&#204; ^2   @&#235; ^2   > E0 CC 80 5E 32 01 00 00 40 EB 80 5E 32 01 00 00 
{75} normal block at 0x000001325E80CC90, 16 bytes long.
 Data: < &#234;&#208;P&#247;           > 80 EA D0 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001325E80D5A0, 16 bytes long.
 Data: <@&#233;&#208;P&#247;           > 40 E9 D0 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001325E80D8C0, 16 bytes long.
 Data: <&#248;W&#205;P&#247;           > F8 57 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001325E80D550, 16 bytes long.
 Data: <&#216;W&#205;P&#247;           > D8 57 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001325E80D140, 16 bytes long.
 Data: <P &#205;P&#247;           > 50 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001325E80D000, 16 bytes long.
 Data: <0 &#205;P&#247;           > 30 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001325E80CE70, 16 bytes long.
 Data: <&#224; &#205;P&#247;           > E0 02 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001325E80CC40, 16 bytes long.
 Data: <  &#205;P&#247;           > 10 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001325E80D0F0, 16 bytes long.
 Data: <p &#205;P&#247;           > 70 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001325E80CEC0, 16 bytes long.
 Data: < &#192;&#203;P&#247;           > 18 C0 CB 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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