Task 38688986

Name test_661-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND9669_0
Workunit 31630272
Created 28 Oct 2026, 17:25:15 UTC
Sent 28 Oct 2026, 17:25:21 UTC
Report deadline 2 Nov 2026, 17:25:21 UTC
Received 28 Oct 2026, 18:13:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 620057
Run time 46 min 43 sec
CPU time 40 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 668.49 MB
Peak swap size 5.22 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:27:08 (5456): wrapper (7.9.26016): starting
19:27:08 (5456): 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
19:27:10 (5456): Library/usr/bin/tar.exe exited; CPU time 0.031250
19:27:10 (5456): 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\13\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\13\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
20:12:36 (5456): C:/Windows/system32/cmd.exe exited; CPU time 2446.046875
20:12:36 (5456): 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: 42534933 bytes.
Dumping objects ->
{3835181} normal block at 0x000002300A671A90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x000002300A671A20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x000002300A6719B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835148} normal block at 0x000002300A671940, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x000002300A6717F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835106} normal block at 0x000002300C16B000, 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) : {3835093} normal block at 0x000002300A66A610, 8 bytes long.
 Data: <  c 0   > 00 00 63 0A 30 02 00 00 
{3833945} normal block at 0x000002300A66A5C0, 8 bytes long.
 Data: <&#192;&#191;e 0   > C0 BF 65 0A 30 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002300A65E670, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002300A66D0B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000002300A672910, 16 bytes long.
 Data: <&#184;4g 0           > B8 34 67 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002300A6729B0, 16 bytes long.
 Data: < 4g 0           > 90 34 67 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002300A66D5E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000002300A6724B0, 16 bytes long.
 Data: <h4g 0           > 68 34 67 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002300A6727D0, 16 bytes long.
 Data: <@4g 0           > 40 34 67 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002300A672BE0, 16 bytes long.
 Data: < 4g 0           > 18 34 67 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002300A672000, 16 bytes long.
 Data: <&#240;3g 0           > F0 33 67 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002300A671BE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000002300A6721E0, 16 bytes long.
 Data: <X&#229;e 0           > 58 E5 65 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002300A66D400, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000002300A671FB0, 16 bytes long.
 Data: <0&#229;e 0           > 30 E5 65 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002300A6723C0, 16 bytes long.
 Data: < &#229;e 0           > 08 E5 65 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002300A671F10, 16 bytes long.
 Data: <&#224;&#228;e 0           > E0 E4 65 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002300A672190, 16 bytes long.
 Data: <&#184;&#228;e 0           > B8 E4 65 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002300A672B90, 16 bytes long.
 Data: < &#228;e 0           > 90 E4 65 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002300A6728C0, 16 bytes long.
 Data: <h&#228;e 0           > 68 E4 65 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002300A66D7C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000002300A672870, 16 bytes long.
 Data: <@&#228;e 0           > 40 E4 65 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002300A65E440, 320 bytes long.
 Data: <p(g 0   &#192;&#215;f 0   > 70 28 67 0A 30 02 00 00 C0 D7 66 0A 30 02 00 00 
{268} normal block at 0x000002300A672140, 16 bytes long.
 Data: <&#208;3g 0           > D0 33 67 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002300A6720A0, 16 bytes long.
 Data: <&#168;3g 0           > A8 33 67 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002300A66DAC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000002300A672370, 16 bytes long.
 Data: < 3g 0           > 80 33 67 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002300A66DD00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000002300A671EC0, 16 bytes long.
 Data: <&#200;2g 0           > C8 32 67 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002300A671E20, 16 bytes long.
 Data: <&#160;2g 0           > A0 32 67 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002300A672960, 16 bytes long.
 Data: <x2g 0           > 78 32 67 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002300A672AF0, 16 bytes long.
 Data: <P2g 0           > 50 32 67 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002300A672B40, 16 bytes long.
 Data: <(2g 0           > 28 32 67 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002300A671DD0, 16 bytes long.
 Data: < 2g 0           > 00 32 67 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002300A6725F0, 16 bytes long.
 Data: <&#208; g 0           > D0 18 67 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002300A6718D0, 40 bytes long.
 Data: <&#240;%g 0    &#176;  0   > F0 25 67 0A 30 02 00 00 00 B0 16 0C 30 02 00 00 
{254} normal block at 0x000002300A672640, 16 bytes long.
 Data: <&#224;1g 0           > E0 31 67 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002300A671F60, 16 bytes long.
 Data: <&#184;1g 0           > B8 31 67 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002300A66D520, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000002300A672A00, 16 bytes long.
 Data: < 1g 0           > 90 31 67 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002300A673190, 992 bytes long.
 Data: < *g 0    &#213;f 0   > 00 2A 67 0A 30 02 00 00 20 D5 66 0A 30 02 00 00 
{86} normal block at 0x000002300A66D3A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000002300A66AC50, 16 bytes long.
 Data: <p&#171;e 0           > 70 AB 65 0A 30 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002300A65AB70, 40 bytes long.
 Data: <P&#172;f 0   &#160;&#211;f 0   > 50 AC 66 0A 30 02 00 00 A0 D3 66 0A 30 02 00 00 
{63} normal block at 0x000002300A66A570, 16 bytes long.
 Data: < &#234; &#225;&#247;           > 80 EA 99 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002300A66A8E0, 16 bytes long.
 Data: <@&#233; &#225;&#247;           > 40 E9 99 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002300A66A250, 16 bytes long.
 Data: <&#248;W&#150;&#225;&#247;           > F8 57 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002300A66AB10, 16 bytes long.
 Data: <&#216;W&#150;&#225;&#247;           > D8 57 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002300A66A200, 16 bytes long.
 Data: <P &#150;&#225;&#247;           > 50 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002300A66AA20, 16 bytes long.
 Data: <0 &#150;&#225;&#247;           > 30 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002300A66A4D0, 16 bytes long.
 Data: <&#224; &#150;&#225;&#247;           > E0 02 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002300A66A700, 16 bytes long.
 Data: <  &#150;&#225;&#247;           > 10 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002300A66A840, 16 bytes long.
 Data: <p &#150;&#225;&#247;           > 70 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002300A66AF20, 16 bytes long.
 Data: < &#192;&#148;&#225;&#247;           > 18 C0 94 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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