Task 38647029

Name test_658-GPUGRID_TEST_ATM_1000_20261023-0-1-RND6066_1
Workunit 31591495
Created 23 Oct 2026, 18:04:52 UTC
Sent 23 Oct 2026, 18:22:51 UTC
Report deadline 28 Oct 2026, 18:22:51 UTC
Received 23 Oct 2026, 19:15:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 594606
Run time 50 min 14 sec
CPU time 49 min 46 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 9,101.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.57 MB
Peak swap size 14.39 GB
Peak disk usage 3.68 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:26:00 (11892): wrapper (7.9.26016): starting
14:26:01 (11892): 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
14:26:04 (11892): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:26:04 (11892): 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 'D:\ProgramData\BOINC\slots\3\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 'D:\ProgramData\BOINC\slots\3\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
15:14:50 (11892): C:/Windows/system32/cmd.exe exited; CPU time 2986.281250
15:14:50 (11892): 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: 56281243 bytes.
Dumping objects ->
{3835255} normal block at 0x0000020EAB402C20, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x0000020EAB4031D0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000020EAB403550, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x0000020EAB403160, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000020EA9485040, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x0000020EAB4510E0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835167} normal block at 0x0000020EA947FE50, 8 bytes long.
 Data: <  &#160;&#169;    > 00 00 A0 A9 0E 02 00 00 
{3833953} normal block at 0x0000020EA947F1D0, 8 bytes long.
 Data: < &#238;F&#169;    > 20 EE 46 A9 0E 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000020EA9475380, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020EA9477200, 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 0x0000020EA948BFF0, 16 bytes long.
 Data: <&#200;&#196;H&#169;            > C8 C4 48 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020EA948B3C0, 16 bytes long.
 Data: <&#160;&#196;H&#169;            > A0 C4 48 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020EA94838B0, 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 0x0000020EA948BD20, 16 bytes long.
 Data: <x&#196;H&#169;            > 78 C4 48 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020EA948BB40, 16 bytes long.
 Data: <P&#196;H&#169;            > 50 C4 48 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020EA948BFA0, 16 bytes long.
 Data: <(&#196;H&#169;            > 28 C4 48 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020EA948B960, 16 bytes long.
 Data: < &#196;H&#169;            > 00 C4 48 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020EA9485120, 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 0x0000020EA948B4B0, 16 bytes long.
 Data: < QG&#169;            > 18 51 47 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020EA9483790, 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 0x0000020EA948B1E0, 16 bytes long.
 Data: <&#240;PG&#169;            > F0 50 47 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020EA948B320, 16 bytes long.
 Data: <&#200;PG&#169;            > C8 50 47 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020EA948BEB0, 16 bytes long.
 Data: <&#160;PG&#169;            > A0 50 47 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020EA948B2D0, 16 bytes long.
 Data: <xPG&#169;            > 78 50 47 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020EA948BDC0, 16 bytes long.
 Data: <PPG&#169;            > 50 50 47 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020EA948C130, 16 bytes long.
 Data: <(PG&#169;            > 28 50 47 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020EA9483310, 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 0x0000020EA948BE10, 16 bytes long.
 Data: < PG&#169;            > 00 50 47 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020EA9475000, 320 bytes long.
 Data: < &#190;H&#169;     3H&#169;    > 10 BE 48 A9 0E 02 00 00 10 33 48 A9 0E 02 00 00 
{272} normal block at 0x0000020EA948BCD0, 16 bytes long.
 Data: <&#224;&#195;H&#169;            > E0 C3 48 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020EA948C0E0, 16 bytes long.
 Data: <&#184;&#195;H&#169;            > B8 C3 48 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020EA9483610, 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 0x0000020EA948BF00, 16 bytes long.
 Data: < &#195;H&#169;            > 90 C3 48 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020EA94837F0, 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 0x0000020EA948BAF0, 16 bytes long.
 Data: <&#216;&#194;H&#169;            > D8 C2 48 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020EA948BE60, 16 bytes long.
 Data: <&#176;&#194;H&#169;            > B0 C2 48 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020EA948BAA0, 16 bytes long.
 Data: < &#194;H&#169;            > 88 C2 48 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020EA948BA00, 16 bytes long.
 Data: <`&#194;H&#169;            > 60 C2 48 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020EA948C040, 16 bytes long.
 Data: <8&#194;H&#169;            > 38 C2 48 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020EA948B640, 16 bytes long.
 Data: < &#194;H&#169;            > 10 C2 48 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020EA948B5F0, 16 bytes long.
 Data: <&#176;PH&#169;            > B0 50 48 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020EA94850B0, 40 bytes long.
 Data: <&#240;&#181;H&#169;    &#224; E&#171;    > F0 B5 48 A9 0E 02 00 00 E0 10 45 AB 0E 02 00 00 
{258} normal block at 0x0000020EA948B460, 16 bytes long.
 Data: <&#240;&#193;H&#169;            > F0 C1 48 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020EA948BBE0, 16 bytes long.
 Data: <&#200;&#193;H&#169;            > C8 C1 48 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020EA9483A90, 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 0x0000020EA948BF50, 16 bytes long.
 Data: <&#160;&#193;H&#169;            > A0 C1 48 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020EA948C1A0, 992 bytes long.
 Data: <P&#191;H&#169;     :H&#169;    > 50 BF 48 A9 0E 02 00 00 90 3A 48 A9 0E 02 00 00 
{90} normal block at 0x0000020EA94834F0, 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 0x0000020EA947FC20, 16 bytes long.
 Data: < RH&#169;            > 00 52 48 A9 0E 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000020EA9485200, 40 bytes long.
 Data: < &#252;G&#169;    &#240;4H&#169;    > 20 FC 47 A9 0E 02 00 00 F0 34 48 A9 0E 02 00 00 
{67} normal block at 0x0000020EA947FB30, 16 bytes long.
 Data: < &#234;&#218;m&#247;           > 80 EA DA 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020EA947FA40, 16 bytes long.
 Data: <@&#233;&#218;m&#247;           > 40 E9 DA 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020EA947F5E0, 16 bytes long.
 Data: <&#248;W&#215;m&#247;           > F8 57 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020EA947F9F0, 16 bytes long.
 Data: <&#216;W&#215;m&#247;           > D8 57 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020EA947F9A0, 16 bytes long.
 Data: <P &#215;m&#247;           > 50 04 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020EA947FB80, 16 bytes long.
 Data: <0 &#215;m&#247;           > 30 04 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020EA947F950, 16 bytes long.
 Data: <&#224; &#215;m&#247;           > E0 02 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020EA947F900, 16 bytes long.
 Data: <  &#215;m&#247;           > 10 04 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020EA947F630, 16 bytes long.
 Data: <p &#215;m&#247;           > 70 04 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020EA947F7C0, 16 bytes long.
 Data: < &#192;&#213;m&#247;           > 18 C0 D5 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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