Task 38679997

Name test_358-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND1982_0
Workunit 31621744
Created 26 Oct 2026, 22:27:36 UTC
Sent 26 Oct 2026, 22:27:38 UTC
Report deadline 31 Oct 2026, 22:27:38 UTC
Received 26 Oct 2026, 23:46:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630626
Run time 24 min 12 sec
CPU time 21 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 40,323.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.65 MB
Peak swap size 5.45 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:21:12 (32260): wrapper (7.9.26016): starting
19:21:12 (32260): 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
19:21:13 (32260): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:21:13 (32260): 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\12\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\12\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
19:46:14 (32260): C:/Windows/system32/cmd.exe exited; CPU time 1264.671875
19:46:14 (32260): 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: 34063967 bytes.
Dumping objects ->
{3835576} normal block at 0x0000028FBCD6D0A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835565} normal block at 0x0000028FBCD6C850, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835554} normal block at 0x0000028FBCD46840, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835543} normal block at 0x0000028FBCD464C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x0000028FBCD467D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835501} normal block at 0x0000028FBEABC530, 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) : {3835488} normal block at 0x0000028FBCD3E630, 8 bytes long.
 Data: <  "&#189;    > 00 00 22 BD 8F 02 00 00 
{3833961} normal block at 0x0000028FBCD3EF90, 8 bytes long.
 Data: <`&#231;&#156;&#190;    > 60 E7 9C BE 8F 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000028FBCD42AC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000028FBCD37760, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000028FBCD46DB0, 16 bytes long.
 Data: <8|&#212;&#188;            > 38 7C D4 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000028FBCD47530, 16 bytes long.
 Data: < |&#212;&#188;            > 10 7C D4 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028FBCD40C30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000028FBCD475D0, 16 bytes long.
 Data: <&#232;{&#212;&#188;            > E8 7B D4 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028FBCD46CC0, 16 bytes long.
 Data: <&#192;{&#212;&#188;            > C0 7B D4 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028FBCD46C70, 16 bytes long.
 Data: < {&#212;&#188;            > 98 7B D4 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028FBCD46B80, 16 bytes long.
 Data: <p{&#212;&#188;            > 70 7B D4 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028FBCD46530, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000028FBCD47850, 16 bytes long.
 Data: <&#184;&#247;&#210;&#188;            > B8 F7 D2 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028FBCD40B70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000028FBCD47580, 16 bytes long.
 Data: < &#247;&#210;&#188;            > 90 F7 D2 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028FBCD46D10, 16 bytes long.
 Data: <h&#247;&#210;&#188;            > 68 F7 D2 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028FBCD47080, 16 bytes long.
 Data: <@&#247;&#210;&#188;            > 40 F7 D2 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028FBCD46C20, 16 bytes long.
 Data: < &#247;&#210;&#188;            > 18 F7 D2 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028FBCD46EF0, 16 bytes long.
 Data: <&#240;&#246;&#210;&#188;            > F0 F6 D2 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028FBCD474E0, 16 bytes long.
 Data: <&#200;&#246;&#210;&#188;            > C8 F6 D2 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028FBCD41170, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000028FBCD469F0, 16 bytes long.
 Data: <&#160;&#246;&#210;&#188;            > A0 F6 D2 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028FBCD2F6A0, 320 bytes long.
 Data: <&#240;i&#212;&#188;    p &#212;&#188;    > F0 69 D4 BC 8F 02 00 00 70 11 D4 BC 8F 02 00 00 
{276} normal block at 0x0000028FBCD46E00, 16 bytes long.
 Data: <P{&#212;&#188;            > 50 7B D4 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028FBCD47170, 16 bytes long.
 Data: <({&#212;&#188;            > 28 7B D4 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028FBCD406F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000028FBCD47760, 16 bytes long.
 Data: < {&#212;&#188;            > 00 7B D4 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028FBCD40990, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000028FBCD478A0, 16 bytes long.
 Data: <Hz&#212;&#188;            > 48 7A D4 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028FBCD46F40, 16 bytes long.
 Data: < z&#212;&#188;            > 20 7A D4 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028FBCD473A0, 16 bytes long.
 Data: <&#248;y&#212;&#188;            > F8 79 D4 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028FBCD46EA0, 16 bytes long.
 Data: <&#208;y&#212;&#188;            > D0 79 D4 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028FBCD47300, 16 bytes long.
 Data: <&#168;y&#212;&#188;            > A8 79 D4 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028FBCD476C0, 16 bytes long.
 Data: < y&#212;&#188;            > 80 79 D4 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028FBCD470D0, 16 bytes long.
 Data: < c&#212;&#188;            > 00 63 D4 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028FBCD46300, 40 bytes long.
 Data: <&#208;p&#212;&#188;    0&#197;&#171;&#190;    > D0 70 D4 BC 8F 02 00 00 30 C5 AB BE 8F 02 00 00 
{262} normal block at 0x0000028FBCD47710, 16 bytes long.
 Data: <`y&#212;&#188;            > 60 79 D4 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028FBCD47620, 16 bytes long.
 Data: <8y&#212;&#188;            > 38 79 D4 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028FBCD40930, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000028FBCD46AE0, 16 bytes long.
 Data: < y&#212;&#188;            > 10 79 D4 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000028FBCD47910, 992 bytes long.
 Data: <&#224;j&#212;&#188;    0	&#212;&#188;    > E0 6A D4 BC 8F 02 00 00 30 09 D4 BC 8F 02 00 00 
{94} normal block at 0x0000028FBCD40810, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000028FBCD3EEA0, 16 bytes long.
 Data: < &#233;&#210;&#188;            > 20 E9 D2 BC 8F 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000028FBCD2E920, 40 bytes long.
 Data: <&#160;&#238;&#211;&#188;      &#212;&#188;    > A0 EE D3 BC 8F 02 00 00 10 08 D4 BC 8F 02 00 00 
{71} normal block at 0x0000028FBCD3E770, 16 bytes long.
 Data: < &#234;X2&#247;           > 80 EA 58 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000028FBCD3E5E0, 16 bytes long.
 Data: <@&#233;X2&#247;           > 40 E9 58 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000028FBCD3F3A0, 16 bytes long.
 Data: <&#248;WU2&#247;           > F8 57 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028FBCD3E810, 16 bytes long.
 Data: <&#216;WU2&#247;           > D8 57 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028FBCD3EE00, 16 bytes long.
 Data: <P U2&#247;           > 50 04 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028FBCD3E720, 16 bytes long.
 Data: <0 U2&#247;           > 30 04 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028FBCD3F4E0, 16 bytes long.
 Data: <&#224; U2&#247;           > E0 02 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028FBCD3E6D0, 16 bytes long.
 Data: <  U2&#247;           > 10 04 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028FBCD3EEF0, 16 bytes long.
 Data: <p U2&#247;           > 70 04 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028FBCD3EDB0, 16 bytes long.
 Data: < &#192;S2&#247;           > 18 C0 53 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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