Task 38675004

Name test_49-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND5276_0
Workunit 31617003
Created 26 Oct 2026, 6:57:45 UTC
Sent 26 Oct 2026, 6:57:51 UTC
Report deadline 31 Oct 2026, 6:57:51 UTC
Received 26 Oct 2026, 8:32:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550864
Run time 46 min 17 sec
CPU time 44 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 674.85 MB
Peak swap size 3.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
03:46:13 (14776): wrapper (7.9.26016): starting
03:46:13 (14776): 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
03:46:14 (14776): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:46:14 (14776): 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 'P:\BOINC\data\slots\5\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 'P:\BOINC\data\slots\5\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: Exiting with failure status due to previous errors
04:31:58 (14776): C:/Windows/system32/cmd.exe exited; CPU time 2651.109375
04:31:58 (14776): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 36831271 bytes.
Dumping objects ->
{3835191} normal block at 0x000001AD88795CA0, 48 bytes long.
 Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835180} normal block at 0x000001AD8A365C50, 32 bytes long.
 Data: <HOME=P:\BOINC\da> 48 4F 4D 45 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835169} normal block at 0x000001AD8A365A10, 32 bytes long.
 Data: <TMP=P:\BOINC\dat> 54 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835158} normal block at 0x000001AD8A365DD0, 32 bytes long.
 Data: <TEMP=P:\BOINC\da> 54 45 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835147} normal block at 0x000001AD8A365D10, 32 bytes long.
 Data: <TMPDIR=P:\BOINC\> 54 4D 50 44 49 52 3D 50 3A 5C 42 4F 49 4E 43 5C 
{3835116} normal block at 0x000001AD88795D10, 48 bytes long.
 Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
..\api\boinc_api.cpp(309) : {3835103} normal block at 0x000001AD887671D0, 8 bytes long.
 Data: <   &#138;&#173;   > 00 00 0C 8A AD 01 00 00 
{3833953} normal block at 0x000001AD88766910, 8 bytes long.
 Data: <&#224;&#131;6&#138;&#173;   > E0 83 36 8A AD 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001AD887702D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001AD8875ABB0, 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 0x000001AD88771810, 16 bytes long.
 Data: < 9w &#173;           > 18 39 77 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AD887714F0, 16 bytes long.
 Data: <&#240;8w &#173;           > F0 38 77 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AD8876D410, 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 0x000001AD887714A0, 16 bytes long.
 Data: <&#200;8w &#173;           > C8 38 77 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001AD88771360, 16 bytes long.
 Data: <&#160;8w &#173;           > A0 38 77 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AD88772170, 16 bytes long.
 Data: <x8w &#173;           > 78 38 77 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AD88772080, 16 bytes long.
 Data: <P8w &#173;           > 50 38 77 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001AD8876B960, 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 0x000001AD88771F40, 16 bytes long.
 Data: < &#198;v &#173;           > 98 C6 76 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AD8876D350, 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 0x000001AD88771DB0, 16 bytes long.
 Data: <p&#198;v &#173;           > 70 C6 76 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AD88771D60, 16 bytes long.
 Data: <H&#198;v &#173;           > 48 C6 76 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AD88771D10, 16 bytes long.
 Data: < &#198;v &#173;           > 20 C6 76 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AD887716D0, 16 bytes long.
 Data: <&#248;&#197;v &#173;           > F8 C5 76 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AD88771CC0, 16 bytes long.
 Data: <&#208;&#197;v &#173;           > D0 C5 76 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AD887712C0, 16 bytes long.
 Data: <&#168;&#197;v &#173;           > A8 C5 76 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AD8876CED0, 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 0x000001AD88771680, 16 bytes long.
 Data: < &#197;v &#173;           > 80 C5 76 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AD8876C580, 320 bytes long.
 Data: <  w &#173;   &#208;&#206;v &#173;   > 80 16 77 88 AD 01 00 00 D0 CE 76 88 AD 01 00 00 
{272} normal block at 0x000001AD88771BD0, 16 bytes long.
 Data: <08w &#173;           > 30 38 77 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AD887720D0, 16 bytes long.
 Data: < 8w &#173;           > 08 38 77 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AD8876C990, 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 0x000001AD887717C0, 16 bytes long.
 Data: <&#224;7w &#173;           > E0 37 77 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AD8876D290, 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 0x000001AD88771EF0, 16 bytes long.
 Data: <(7w &#173;           > 28 37 77 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AD88772030, 16 bytes long.
 Data: < 7w &#173;           > 00 37 77 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AD88771310, 16 bytes long.
 Data: <&#216;6w &#173;           > D8 36 77 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AD88771EA0, 16 bytes long.
 Data: <&#176;6w &#173;           > B0 36 77 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AD88771F90, 16 bytes long.
 Data: < 6w &#173;           > 88 36 77 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AD88771450, 16 bytes long.
 Data: <`6w &#173;           > 60 36 77 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AD88771220, 16 bytes long.
 Data: < &#180;v &#173;           > 20 B4 76 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001AD8876B420, 40 bytes long.
 Data: <  w &#173;    ]y &#173;   > 20 12 77 88 AD 01 00 00 10 5D 79 88 AD 01 00 00 
{258} normal block at 0x000001AD88771C70, 16 bytes long.
 Data: <@6w &#173;           > 40 36 77 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001AD88771630, 16 bytes long.
 Data: < 6w &#173;           > 18 36 77 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001AD8876CE70, 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 0x000001AD88771720, 16 bytes long.
 Data: <&#240;5w &#173;           > F0 35 77 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001AD887735F0, 992 bytes long.
 Data: <  w &#173;   p&#206;v &#173;   > 20 17 77 88 AD 01 00 00 70 CE 76 88 AD 01 00 00 
{90} normal block at 0x000001AD8876D6B0, 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 0x000001AD88766FA0, 16 bytes long.
 Data: <&#240;&#184;v &#173;           > F0 B8 76 88 AD 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001AD8876B8F0, 40 bytes long.
 Data: <&#160;ov &#173;   &#176;&#214;v &#173;   > A0 6F 76 88 AD 01 00 00 B0 D6 76 88 AD 01 00 00 
{67} normal block at 0x000001AD88766780, 16 bytes long.
 Data: < &#234;[&#255;&#247;           > 80 EA 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AD88767400, 16 bytes long.
 Data: <@&#233;[&#255;&#247;           > 40 E9 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AD88766820, 16 bytes long.
 Data: <&#248;WX&#255;&#247;           > F8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AD88767540, 16 bytes long.
 Data: <&#216;WX&#255;&#247;           > D8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AD88766F00, 16 bytes long.
 Data: <P X&#255;&#247;           > 50 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AD88767450, 16 bytes long.
 Data: <0 X&#255;&#247;           > 30 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001AD887668C0, 16 bytes long.
 Data: <&#224; X&#255;&#247;           > E0 02 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001AD887674A0, 16 bytes long.
 Data: <  X&#255;&#247;           > 10 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001AD88767310, 16 bytes long.
 Data: <p X&#255;&#247;           > 70 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001AD887673B0, 16 bytes long.
 Data: < &#192;V&#255;&#247;           > 18 C0 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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