Task 38668561

Name test_279-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND1569_0
Workunit 31611053
Created 25 Oct 2026, 12:07:12 UTC
Sent 25 Oct 2026, 12:07:21 UTC
Report deadline 30 Oct 2026, 12:07:21 UTC
Received 25 Oct 2026, 12:39:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643627
Run time 19 min 13 sec
CPU time 17 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 764.44 MB
Peak swap size 13.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
07:08:29 (39564): wrapper (7.9.26016): starting
07:08:29 (39564): 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
07:08:31 (39564): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:08:31 (39564): 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\24\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\24\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
07:26:47 (39564): C:/Windows/system32/cmd.exe exited; CPU time 1030.875000
07:26:47 (39564): 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: 24077083 bytes.
Dumping objects ->
{3835497} normal block at 0x000001909AF95520, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835486} normal block at 0x000001909AF954B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000001909AF956E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835464} normal block at 0x000001909AF95670, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835453} normal block at 0x000001909AF95590, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835422} normal block at 0x000001909CD18350, 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) : {3835409} normal block at 0x000001909AF906D0, 8 bytes long.
 Data: <  &#244;&#154;    > 00 00 F4 9A 90 01 00 00 
{3833969} normal block at 0x000001909AF8FB40, 8 bytes long.
 Data: <&#160;L&#249;&#154;    > A0 4C F9 9A 90 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001909AF92400, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001909AF87040, 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 0x000001909AF96430, 16 bytes long.
 Data: <&#184;r&#249;&#154;            > B8 72 F9 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001909AF96D40, 16 bytes long.
 Data: < r&#249;&#154;            > 90 72 F9 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001909AF8E4A0, 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 0x000001909AF96E30, 16 bytes long.
 Data: <hr&#249;&#154;            > 68 72 F9 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001909AF96890, 16 bytes long.
 Data: <@r&#249;&#154;            > 40 72 F9 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001909AF96340, 16 bytes long.
 Data: < r&#249;&#154;            > 18 72 F9 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001909AF96DE0, 16 bytes long.
 Data: <&#240;q&#249;&#154;            > F0 71 F9 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001909AF957C0, 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 0x000001909AF96570, 16 bytes long.
 Data: <&#248;&#249;&#247;&#154;            > F8 F9 F7 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001909AF8DA20, 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 0x000001909AF96C50, 16 bytes long.
 Data: <&#208;&#249;&#247;&#154;            > D0 F9 F7 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001909AF96200, 16 bytes long.
 Data: <&#168;&#249;&#247;&#154;            > A8 F9 F7 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001909AF962F0, 16 bytes long.
 Data: < &#249;&#247;&#154;            > 80 F9 F7 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001909AF96840, 16 bytes long.
 Data: <X&#249;&#247;&#154;            > 58 F9 F7 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001909AF96480, 16 bytes long.
 Data: <0&#249;&#247;&#154;            > 30 F9 F7 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001909AF966B0, 16 bytes long.
 Data: < &#249;&#247;&#154;            > 08 F9 F7 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001909AF8E620, 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 0x000001909AF96610, 16 bytes long.
 Data: <&#224;&#248;&#247;&#154;            > E0 F8 F7 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001909AF7F8E0, 320 bytes long.
 Data: < f&#249;&#154;     &#230;&#248;&#154;    > 10 66 F9 9A 90 01 00 00 20 E6 F8 9A 90 01 00 00 
{280} normal block at 0x000001909AF96750, 16 bytes long.
 Data: <&#208;q&#249;&#154;            > D0 71 F9 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001909AF963E0, 16 bytes long.
 Data: <&#168;q&#249;&#154;            > A8 71 F9 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001909AF8E380, 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 0x000001909AF967A0, 16 bytes long.
 Data: < q&#249;&#154;            > 80 71 F9 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001909AF8DF60, 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 0x000001909AF96070, 16 bytes long.
 Data: <&#200;p&#249;&#154;            > C8 70 F9 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001909AF96700, 16 bytes long.
 Data: <&#160;p&#249;&#154;            > A0 70 F9 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001909AF95FD0, 16 bytes long.
 Data: <xp&#249;&#154;            > 78 70 F9 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001909AF96CA0, 16 bytes long.
 Data: <Pp&#249;&#154;            > 50 70 F9 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001909AF964D0, 16 bytes long.
 Data: <(p&#249;&#154;            > 28 70 F9 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001909AF967F0, 16 bytes long.
 Data: < p&#249;&#154;            > 00 70 F9 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001909AF96C00, 16 bytes long.
 Data: <`S&#249;&#154;            > 60 53 F9 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001909AF95360, 40 bytes long.
 Data: < l&#249;&#154;    P&#131;&#209;&#156;    > 00 6C F9 9A 90 01 00 00 50 83 D1 9C 90 01 00 00 
{266} normal block at 0x000001909AF965C0, 16 bytes long.
 Data: <&#224;o&#249;&#154;            > E0 6F F9 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001909AF96020, 16 bytes long.
 Data: <&#184;o&#249;&#154;            > B8 6F F9 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001909AF8E320, 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 0x000001909AF96660, 16 bytes long.
 Data: < o&#249;&#154;            > 90 6F F9 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001909AF96F90, 992 bytes long.
 Data: <`f&#249;&#154;     &#227;&#248;&#154;    > 60 66 F9 9A 90 01 00 00 20 E3 F8 9A 90 01 00 00 
{98} normal block at 0x000001909AF8DB40, 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 0x000001909AF8FF50, 16 bytes long.
 Data: <@&#241;&#247;&#154;            > 40 F1 F7 9A 90 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001909AF7F140, 40 bytes long.
 Data: <P&#255;&#248;&#154;    @&#219;&#248;&#154;    > 50 FF F8 9A 90 01 00 00 40 DB F8 9A 90 01 00 00 
{75} normal block at 0x000001909AF8FD70, 16 bytes long.
 Data: < &#234;&#247;&#208;&#246;           > 80 EA F7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001909AF8FAF0, 16 bytes long.
 Data: <@&#233;&#247;&#208;&#246;           > 40 E9 F7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001909AF90680, 16 bytes long.
 Data: <&#248;W&#244;&#208;&#246;           > F8 57 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001909AF8FE60, 16 bytes long.
 Data: <&#216;W&#244;&#208;&#246;           > D8 57 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001909AF90860, 16 bytes long.
 Data: <P &#244;&#208;&#246;           > 50 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001909AF8FF00, 16 bytes long.
 Data: <0 &#244;&#208;&#246;           > 30 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001909AF8FFF0, 16 bytes long.
 Data: <&#224; &#244;&#208;&#246;           > E0 02 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001909AF908B0, 16 bytes long.
 Data: <  &#244;&#208;&#246;           > 10 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001909AF8FEB0, 16 bytes long.
 Data: <p &#244;&#208;&#246;           > 70 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001909AF90A40, 16 bytes long.
 Data: < &#192;&#242;&#208;&#246;           > 18 C0 F2 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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