Task 38684370

Name test_946-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND4737_0
Workunit 31625885
Created 27 Oct 2026, 16:00:21 UTC
Sent 27 Oct 2026, 16:00:27 UTC
Report deadline 1 Nov 2026, 16:00:27 UTC
Received 27 Oct 2026, 16:43:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 602698
Run time 41 min 47 sec
CPU time 39 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,952.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 677.86 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:02:38 (10424): wrapper (7.9.26016): starting
17:02:38 (10424): 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
17:02:40 (10424): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:02:40 (10424): 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\slots\8\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\slots\8\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
17:42:50 (10424): C:/Windows/system32/cmd.exe exited; CPU time 2374.828125
17:42:50 (10424): called boinc_finish(0)
0 bytes in 0 Free Blocks.
458 bytes in 8 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: 35310313 bytes.
Dumping objects ->
{3835229} normal block at 0x0000022937060A00, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835218} normal block at 0x00000229371A3B20, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835207} normal block at 0x00000229371A2B00, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835196} normal block at 0x00000229371A2E00, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835185} normal block at 0x00000229371A3940, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835154} normal block at 0x0000022937060CA0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835143} normal block at 0x00000229371B14B0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835140} normal block at 0x00000229355F66A0, 8 bytes long.
 Data: <  X5)   > 00 00 58 35 29 02 00 00 
{3834534} normal block at 0x00000229371B1CD0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x00000229355F61F0, 8 bytes long.
 Data: < &#165;^5)   > 80 A5 5E 35 29 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000022935601210, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022935602150, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x0000022935602D90, 16 bytes long.
 Data: <89`5)           > 38 39 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000229356024D0, 16 bytes long.
 Data: < 9`5)           > 10 39 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000229355FC920, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x0000022935602E30, 16 bytes long.
 Data: <&#232;8`5)           > E8 38 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022935602DE0, 16 bytes long.
 Data: <&#192;8`5)           > C0 38 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022935602A70, 16 bytes long.
 Data: < 8`5)           > 98 38 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000229356029D0, 16 bytes long.
 Data: <p8`5)           > 70 38 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000229355FAA80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x0000022935602F70, 16 bytes long.
 Data: <&#232; `5)           > E8 20 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000229355FCB00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x0000022935602CF0, 16 bytes long.
 Data: <&#192; `5)           > C0 20 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022935603060, 16 bytes long.
 Data: <  `5)           > 98 20 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022935603100, 16 bytes long.
 Data: <p `5)           > 70 20 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022935602D40, 16 bytes long.
 Data: <H `5)           > 48 20 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000229356023E0, 16 bytes long.
 Data: <  `5)           > 20 20 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022935602520, 16 bytes long.
 Data: <&#248; `5)           > F8 1F 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000229355FC200, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x00000229356027A0, 16 bytes long.
 Data: <&#208; `5)           > D0 1F 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022935601FD0, 320 bytes long.
 Data: <&#160;'`5)    &#194;_5)   > A0 27 60 35 29 02 00 00 00 C2 5F 35 29 02 00 00 
{266} normal block at 0x0000022935602CA0, 16 bytes long.
 Data: <P8`5)           > 50 38 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022935602700, 16 bytes long.
 Data: <(8`5)           > 28 38 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000229355FCAA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x0000022935602C50, 16 bytes long.
 Data: < 8`5)           > 00 38 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000229355FC440, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x0000022935602AC0, 16 bytes long.
 Data: <H7`5)           > 48 37 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000229356031A0, 16 bytes long.
 Data: < 7`5)           > 20 37 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022935602750, 16 bytes long.
 Data: <&#248;6`5)           > F8 36 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022935602390, 16 bytes long.
 Data: <&#208;6`5)           > D0 36 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000229356028E0, 16 bytes long.
 Data: <&#168;6`5)           > A8 36 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022935602BB0, 16 bytes long.
 Data: < 6`5)           > 80 36 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000022935602ED0, 16 bytes long.
 Data: <p&#174;_5)           > 70 AE 5F 35 29 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000229355FAE70, 40 bytes long.
 Data: <&#208;.`5)   &#160;  7)   > D0 2E 60 35 29 02 00 00 A0 0C 06 37 29 02 00 00 
{252} normal block at 0x0000022935602430, 16 bytes long.
 Data: <`6`5)           > 60 36 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000229356022A0, 16 bytes long.
 Data: <86`5)           > 38 36 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000229355FC380, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x0000022935602B10, 16 bytes long.
 Data: < 6`5)           > 10 36 60 35 29 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x0000022935603610, 992 bytes long.
 Data: < +`5)    &#195;_5)   > 10 2B 60 35 29 02 00 00 80 C3 5F 35 29 02 00 00 
{84} normal block at 0x00000229355FC5C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x00000229355F6970, 16 bytes long.
 Data: <&#160;&#176;_5)           > A0 B0 5F 35 29 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000229355FB0A0, 40 bytes long.
 Data: <pi_5)   &#192;&#197;_5)   > 70 69 5F 35 29 02 00 00 C0 C5 5F 35 29 02 00 00 
{61} normal block at 0x00000229355F5E80, 16 bytes long.
 Data: < &#234;q8&#247;           > 80 EA 71 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000229355F5D40, 16 bytes long.
 Data: <@&#233;q8&#247;           > 40 E9 71 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000229355F5ED0, 16 bytes long.
 Data: <&#248;Wn8&#247;           > F8 57 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000229355F6650, 16 bytes long.
 Data: <&#216;Wn8&#247;           > D8 57 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000229355F5CF0, 16 bytes long.
 Data: <P n8&#247;           > 50 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000229355F5E30, 16 bytes long.
 Data: <0 n8&#247;           > 30 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000229355F6B00, 16 bytes long.
 Data: <&#224; n8&#247;           > E0 02 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000229355F6470, 16 bytes long.
 Data: <  n8&#247;           > 10 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000229355F6AB0, 16 bytes long.
 Data: <p n8&#247;           > 70 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x00000229355F6380, 16 bytes long.
 Data: < &#192;l8&#247;           > 18 C0 6C 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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