Task 38683855

Name test_225-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND6833_1
Workunit 31625221
Created 27 Oct 2026, 13:37:11 UTC
Sent 27 Oct 2026, 13:37:17 UTC
Report deadline 1 Nov 2026, 13:37:17 UTC
Received 27 Oct 2026, 15:54:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637325
Run time 1 hours 8 min 16 sec
CPU time 1 hours 3 min
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 891.13 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>
16:47:13 (9620): wrapper (7.9.26016): starting
16:47:13 (9620): 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
16:47:15 (9620): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:47:15 (9620): 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
17:53:47 (9620): C:/Windows/system32/cmd.exe exited; CPU time 3780.078125
17:53:47 (9620): 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: 47787157 bytes.
Dumping objects ->
{3835194} normal block at 0x0000015355471560, 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 0x0000015355470FB0, 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 0x0000015355470BC0, 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 0x0000015355470D10, 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 0x0000015355471640, 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 0x00000153555622F0, 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 0x0000015353AECEE0, 8 bytes long.
 Data: <  &#165;SS   > 00 00 A5 53 53 01 00 00 
{3833949} normal block at 0x0000015353B025F0, 8 bytes long.
 Data: <  _US   > 90 20 5F 55 53 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000015353B01380, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015353AE5CF0, 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 0x0000015353B03220, 16 bytes long.
 Data: <x,&#176;SS           > 78 2C B0 53 53 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015353B034A0, 16 bytes long.
 Data: <P,&#176;SS           > 50 2C B0 53 53 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015353AFBCD0, 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 0x0000015353B031D0, 16 bytes long.
 Data: <(,&#176;SS           > 28 2C B0 53 53 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015353AFB040, 16 bytes long.
 Data: < ,&#176;SS           > 00 2C B0 53 53 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015353AFAFF0, 16 bytes long.
 Data: <&#216;+&#176;SS           > D8 2B B0 53 53 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015353AFAF00, 16 bytes long.
 Data: <&#176;+&#176;SS           > B0 2B B0 53 53 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015353AFA380, 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 0x0000015353AFAC30, 16 bytes long.
 Data: < \&#174;SS           > 88 5C AE 53 53 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015353AFC2D0, 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 0x0000015353AFABE0, 16 bytes long.
 Data: <`\&#174;SS           > 60 5C AE 53 53 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015353AFAE60, 16 bytes long.
 Data: <8\&#174;SS           > 38 5C AE 53 53 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015353AFAEB0, 16 bytes long.
 Data: < \&#174;SS           > 10 5C AE 53 53 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015353B024B0, 16 bytes long.
 Data: <&#232;[&#174;SS           > E8 5B AE 53 53 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015353B02320, 16 bytes long.
 Data: <&#192;[&#174;SS           > C0 5B AE 53 53 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015353B02190, 16 bytes long.
 Data: < [&#174;SS           > 98 5B AE 53 53 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015353AFC450, 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 0x0000015353B028C0, 16 bytes long.
 Data: <p[&#174;SS           > 70 5B AE 53 53 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015353AE5B70, 320 bytes long.
 Data: <&#192;(&#176;SS   P&#196;&#175;SS   > C0 28 B0 53 53 01 00 00 50 C4 AF 53 53 01 00 00 
{270} normal block at 0x0000015353B02460, 16 bytes long.
 Data: < +&#176;SS           > 90 2B B0 53 53 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015353B02230, 16 bytes long.
 Data: <h+&#176;SS           > 68 2B B0 53 53 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015353AFBFD0, 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 0x0000015353B02870, 16 bytes long.
 Data: <@+&#176;SS           > 40 2B B0 53 53 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015353AFBDF0, 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 0x0000015353B02780, 16 bytes long.
 Data: < *&#176;SS           > 88 2A B0 53 53 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015353B02640, 16 bytes long.
 Data: <`*&#176;SS           > 60 2A B0 53 53 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015353B025A0, 16 bytes long.
 Data: <8*&#176;SS           > 38 2A B0 53 53 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015353AFAA50, 16 bytes long.
 Data: < *&#176;SS           > 10 2A B0 53 53 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015353AFAA00, 16 bytes long.
 Data: <&#232;)&#176;SS           > E8 29 B0 53 53 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015353AFAF50, 16 bytes long.
 Data: <&#192;)&#176;SS           > C0 29 B0 53 53 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015353AFAE10, 16 bytes long.
 Data: <P&#161;&#175;SS           > 50 A1 AF 53 53 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015353AFA150, 40 bytes long.
 Data: < &#174;&#175;SS   &#240;"VUS   > 10 AE AF 53 53 01 00 00 F0 22 56 55 53 01 00 00 
{256} normal block at 0x0000015353AFADC0, 16 bytes long.
 Data: <&#160;)&#176;SS           > A0 29 B0 53 53 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000015353AFAD70, 16 bytes long.
 Data: <x)&#176;SS           > 78 29 B0 53 53 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000015353AFB6D0, 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 0x0000015353AFAB90, 16 bytes long.
 Data: <P)&#176;SS           > 50 29 B0 53 53 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000015353B02950, 992 bytes long.
 Data: < &#171;&#175;SS   &#208;&#182;&#175;SS   > 90 AB AF 53 53 01 00 00 D0 B6 AF 53 53 01 00 00 
{88} normal block at 0x0000015353AFBD30, 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 0x0000015353AFAAF0, 16 bytes long.
 Data: <P&#168;&#175;SS           > 50 A8 AF 53 53 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000015353AFA850, 40 bytes long.
 Data: <&#240;&#170;&#175;SS   0&#189;&#175;SS   > F0 AA AF 53 53 01 00 00 30 BD AF 53 53 01 00 00 
{65} normal block at 0x0000015353AFAFA0, 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 0x0000015353AFAAA0, 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 0x0000015353AFAC80, 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 0x0000015353AFACD0, 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 0x0000015353AF6110, 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 0x0000015353AF60C0, 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 0x0000015353AF6070, 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 0x0000015353AF5EE0, 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 0x0000015353AF6160, 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 0x0000015353AF5D50, 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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