Task 38684911

Name test_12-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND1884_0
Workunit 31626410
Created 27 Oct 2026, 18:32:17 UTC
Sent 27 Oct 2026, 18:32:22 UTC
Report deadline 1 Nov 2026, 18:32:22 UTC
Received 27 Oct 2026, 20:28:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637325
Run time 1 hours 8 min 49 sec
CPU time 1 hours 3 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,571.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 881.00 MB
Peak swap size 2.22 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
21:21:31 (7872): wrapper (7.9.26016): starting
21:21:31 (7872): 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
21:21:33 (7872): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:21:33 (7872): 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\4\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\4\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
22:28:34 (7872): C:/Windows/system32/cmd.exe exited; CPU time 3813.500000
22:28:34 (7872): 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: 48227717 bytes.
Dumping objects ->
{3835194} normal block at 0x0000024C5ED70ED0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x0000024C5ED708B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x0000024C5ED70DF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835161} normal block at 0x0000024C5ED707D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x0000024C5ED70BC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835119} normal block at 0x0000024C5EEBB5A0, 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) : {3835106} normal block at 0x0000024C5D395B70, 8 bytes long.
 Data: <  &#216;^L   > 00 00 D8 5E 4C 02 00 00 
{3833949} normal block at 0x0000024C5D395CB0, 8 bytes long.
 Data: <&#176;h&#241;^L   > B0 68 F1 5E 4C 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000024C5D3A0C80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024C5D385CF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000024C5D3A20D0, 16 bytes long.
 Data: <(/:]L           > 28 2F 3A 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024C5D3A2760, 16 bytes long.
 Data: < /:]L           > 00 2F 3A 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024C5D39B8E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000024C5D3A2170, 16 bytes long.
 Data: <&#216;.:]L           > D8 2E 3A 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024C5D3A2710, 16 bytes long.
 Data: <&#176;.:]L           > B0 2E 3A 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024C5D3A1C70, 16 bytes long.
 Data: < .:]L           > 88 2E 3A 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024C5D3A29E0, 16 bytes long.
 Data: <`.:]L           > 60 2E 3A 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024C5D39A3B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000024C5D3A1C20, 16 bytes long.
 Data: < \8]L           > 88 5C 38 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024C5D39C0C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000024C5D3A1EA0, 16 bytes long.
 Data: <`\8]L           > 60 5C 38 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024C5D3A2080, 16 bytes long.
 Data: <8\8]L           > 38 5C 38 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024C5D3A1CC0, 16 bytes long.
 Data: < \8]L           > 10 5C 38 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024C5D3A23A0, 16 bytes long.
 Data: <&#232;[8]L           > E8 5B 38 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024C5D3A25D0, 16 bytes long.
 Data: <&#192;[8]L           > C0 5B 38 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024C5D3A1FE0, 16 bytes long.
 Data: < [8]L           > 98 5B 38 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024C5D39C420, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000024C5D3A2580, 16 bytes long.
 Data: <p[8]L           > 70 5B 38 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024C5D385B70, 320 bytes long.
 Data: < %:]L    &#196;9]L   > 80 25 3A 5D 4C 02 00 00 20 C4 39 5D 4C 02 00 00 
{270} normal block at 0x0000024C5D3A2120, 16 bytes long.
 Data: <@.:]L           > 40 2E 3A 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024C5D3A2350, 16 bytes long.
 Data: < .:]L           > 18 2E 3A 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024C5D39B880, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000024C5D3A1BD0, 16 bytes long.
 Data: <&#240;-:]L           > F0 2D 3A 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024C5D39BF40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000024C5D3A28F0, 16 bytes long.
 Data: <8-:]L           > 38 2D 3A 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024C5D3A2300, 16 bytes long.
 Data: < -:]L           > 10 2D 3A 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024C5D3A2530, 16 bytes long.
 Data: <&#232;,:]L           > E8 2C 3A 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024C5D3A2850, 16 bytes long.
 Data: <&#192;,:]L           > C0 2C 3A 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024C5D3A2670, 16 bytes long.
 Data: < ,:]L           > 98 2C 3A 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024C5D3A2990, 16 bytes long.
 Data: <p,:]L           > 70 2C 3A 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024C5D3A1B80, 16 bytes long.
 Data: <&#208;&#162;9]L           > D0 A2 39 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024C5D39A2D0, 40 bytes long.
 Data: <  :]L   &#160;&#181;&#235;^L   > 80 1B 3A 5D 4C 02 00 00 A0 B5 EB 5E 4C 02 00 00 
{256} normal block at 0x0000024C5D3A24E0, 16 bytes long.
 Data: <P,:]L           > 50 2C 3A 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000024C5D3A2800, 16 bytes long.
 Data: <(,:]L           > 28 2C 3A 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000024C5D39BE80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000024C5D3A2490, 16 bytes long.
 Data: < ,:]L           > 00 2C 3A 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000024C5D3A2C00, 992 bytes long.
 Data: < $:]L    &#190;9]L   > 90 24 3A 5D 4C 02 00 00 80 BE 39 5D 4C 02 00 00 
{88} normal block at 0x0000024C5D39C1E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000024C5D395710, 16 bytes long.
 Data: < &#164;9]L           > 90 A4 39 5D 4C 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000024C5D39A490, 40 bytes long.
 Data: < W9]L   &#224;&#193;9]L   > 10 57 39 5D 4C 02 00 00 E0 C1 39 5D 4C 02 00 00 
{65} normal block at 0x0000024C5D395760, 16 bytes long.
 Data: < &#234;&#192;j&#247;           > 80 EA C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024C5D3958A0, 16 bytes long.
 Data: <@&#233;&#192;j&#247;           > 40 E9 C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024C5D395990, 16 bytes long.
 Data: <&#248;W&#189;j&#247;           > F8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024C5D3953F0, 16 bytes long.
 Data: <&#216;W&#189;j&#247;           > D8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024C5D395800, 16 bytes long.
 Data: <P &#189;j&#247;           > 50 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024C5D396020, 16 bytes long.
 Data: <0 &#189;j&#247;           > 30 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024C5D395850, 16 bytes long.
 Data: <&#224; &#189;j&#247;           > E0 02 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024C5D3954E0, 16 bytes long.
 Data: <  &#189;j&#247;           > 10 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000024C5D395DA0, 16 bytes long.
 Data: <p &#189;j&#247;           > 70 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000024C5D395490, 16 bytes long.
 Data: < &#192;&#187;j&#247;           > 18 C0 BB 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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