Task 38648004

Name test_869-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND5832_0
Workunit 31592723
Created 23 Oct 2026, 20:27:48 UTC
Sent 23 Oct 2026, 21:30:01 UTC
Report deadline 28 Oct 2026, 21:30:01 UTC
Received 23 Oct 2026, 22:33:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637827
Run time 44 min 56 sec
CPU time 41 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,073.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 670.18 MB
Peak swap size 5.26 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:48:19 (3908): wrapper (7.9.26016): starting
00:48:19 (3908): 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
00:48:20 (3908): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:48:20 (3908): 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:\BOINC_Projects\slots\0\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:\BOINC_Projects\slots\0\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
01:32:55 (3908): C:/Windows/system32/cmd.exe exited; CPU time 2487.484375
01:32:55 (3908): called boinc_finish(0)
0 bytes in 0 Free Blocks.
192 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: 41517799 bytes.
Dumping objects ->
{3835241} normal block at 0x00000147EFF868E0, 48 bytes long.
 Data: <PATH=D:\BOINC_Pr> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 
{3835230} normal block at 0x00000147F1CE60E0, 32 bytes long.
 Data: <HOME=D:\BOINC_Pr> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 
{3835219} normal block at 0x00000147F1CE6140, 32 bytes long.
 Data: <TMP=D:\BOINC_Pro> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 6F 
{3835208} normal block at 0x00000147F1CE5840, 32 bytes long.
 Data: <TEMP=D:\BOINC_Pr> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 
{3835197} normal block at 0x00000147EFF865D0, 48 bytes long.
 Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F 
{3835166} normal block at 0x00000147EFF86640, 48 bytes long.
 Data: <PATH=D:\BOINC_Pr> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 
..\api\boinc_api.cpp(309) : {3835153} normal block at 0x00000147EFF57310, 8 bytes long.
 Data: <  &#156;&#241;G   > 00 00 9C F1 47 01 00 00 
{3833953} normal block at 0x00000147EFF56DC0, 8 bytes long.
 Data: < g&#214;&#241;G   > 00 67 D6 F1 47 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000147EFF61C70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000147EFF4B540, 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 0x00000147EFF63890, 16 bytes long.
 Data: <hA&#246;&#239;G           > 68 41 F6 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000147EFF63700, 16 bytes long.
 Data: <@A&#246;&#239;G           > 40 41 F6 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000147EFF5BB10, 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 0x00000147EFF63930, 16 bytes long.
 Data: < A&#246;&#239;G           > 18 41 F6 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000147EFF637F0, 16 bytes long.
 Data: <&#240;@&#246;&#239;G           > F0 40 F6 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000147EFF636B0, 16 bytes long.
 Data: <&#200;@&#246;&#239;G           > C8 40 F6 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000147EFF63660, 16 bytes long.
 Data: <&#160;@&#246;&#239;G           > A0 40 F6 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000147EFF5E290, 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 0x00000147EFF62A80, 16 bytes long.
 Data: < b&#244;&#239;G           > 18 62 F4 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000147EFF5BF30, 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 0x00000147EFF63070, 16 bytes long.
 Data: <&#240;a&#244;&#239;G           > F0 61 F4 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000147EFF638E0, 16 bytes long.
 Data: <&#200;a&#244;&#239;G           > C8 61 F4 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000147EFF62E40, 16 bytes long.
 Data: <&#160;a&#244;&#239;G           > A0 61 F4 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000147EFF63610, 16 bytes long.
 Data: <xa&#244;&#239;G           > 78 61 F4 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000147EFF62C60, 16 bytes long.
 Data: <Pa&#244;&#239;G           > 50 61 F4 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000147EFF635C0, 16 bytes long.
 Data: <(a&#244;&#239;G           > 28 61 F4 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000147EFF5C770, 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 0x00000147EFF63520, 16 bytes long.
 Data: < a&#244;&#239;G           > 00 61 F4 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000147EFF46100, 320 bytes long.
 Data: < 5&#246;&#239;G   p&#199;&#245;&#239;G   > 20 35 F6 EF 47 01 00 00 70 C7 F5 EF 47 01 00 00 
{272} normal block at 0x00000147EFF630C0, 16 bytes long.
 Data: <&#128;@&#246;&#239;G           > 80 40 F6 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000147EFF63750, 16 bytes long.
 Data: <X@&#246;&#239;G           > 58 40 F6 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000147EFF5C710, 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 0x00000147EFF634D0, 16 bytes long.
 Data: <0@&#246;&#239;G           > 30 40 F6 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000147EFF5C530, 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 0x00000147EFF639D0, 16 bytes long.
 Data: <x?&#246;&#239;G           > 78 3F F6 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000147EFF63430, 16 bytes long.
 Data: <P?&#246;&#239;G           > 50 3F F6 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000147EFF62D00, 16 bytes long.
 Data: <(?&#246;&#239;G           > 28 3F F6 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000147EFF63570, 16 bytes long.
 Data: < ?&#246;&#239;G           > 00 3F F6 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000147EFF63200, 16 bytes long.
 Data: <&#216;>&#246;&#239;G           > D8 3E F6 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000147EFF63020, 16 bytes long.
 Data: <&#176;>&#246;&#239;G           > B0 3E F6 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000147EFF62C10, 16 bytes long.
 Data: < &#226;&#245;&#239;G           > 20 E2 F5 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000147EFF5E220, 40 bytes long.
 Data: < ,&#246;&#239;G   @f&#248;&#239;G   > 10 2C F6 EF 47 01 00 00 40 66 F8 EF 47 01 00 00 
{258} normal block at 0x00000147EFF63980, 16 bytes long.
 Data: <&#144;>&#246;&#239;G           > 90 3E F6 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000147EFF631B0, 16 bytes long.
 Data: <h>&#246;&#239;G           > 68 3E F6 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000147EFF5C410, 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 0x00000147EFF62AD0, 16 bytes long.
 Data: <@>&#246;&#239;G           > 40 3E F6 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000147EFF63E40, 992 bytes long.
 Data: <&#208;*&#246;&#239;G    &#196;&#245;&#239;G   > D0 2A F6 EF 47 01 00 00 10 C4 F5 EF 47 01 00 00 
{90} normal block at 0x00000147EFF5C590, 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 0x00000147EFF56D70, 16 bytes long.
 Data: <&#128;&#223;&#245;&#239;G           > 80 DF F5 EF 47 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000147EFF5DF80, 40 bytes long.
 Data: <pm&#245;&#239;G   &#144;&#197;&#245;&#239;G   > 70 6D F5 EF 47 01 00 00 90 C5 F5 EF 47 01 00 00 
{67} normal block at 0x00000147EFF572C0, 16 bytes long.
 Data: <&#128;&#234;&#174;&#132;&#246;           > 80 EA AE 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000147EFF57270, 16 bytes long.
 Data: <@&#233;&#174;&#132;&#246;           > 40 E9 AE 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000147EFF57090, 16 bytes long.
 Data: <&#248;W&#171;&#132;&#246;           > F8 57 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000147EFF56CD0, 16 bytes long.
 Data: <&#216;W&#171;&#132;&#246;           > D8 57 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000147EFF57BD0, 16 bytes long.
 Data: <P &#171;&#132;&#246;           > 50 04 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000147EFF57B30, 16 bytes long.
 Data: <0 &#171;&#132;&#246;           > 30 04 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000147EFF57AE0, 16 bytes long.
 Data: <&#224; &#171;&#132;&#246;           > E0 02 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000147EFF578B0, 16 bytes long.
 Data: <  &#171;&#132;&#246;           > 10 04 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000147EFF56D20, 16 bytes long.
 Data: <p &#171;&#132;&#246;           > 70 04 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000147EFF57A90, 16 bytes long.
 Data: < &#192;&#169;&#132;&#246;           > 18 C0 A9 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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