Task 38649504

Name test_272-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND3834_0
Workunit 31594135
Created 23 Oct 2026, 21:29:31 UTC
Sent 23 Oct 2026, 22:40:12 UTC
Report deadline 28 Oct 2026, 22:40:12 UTC
Received 24 Oct 2026, 1:13:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651905
Run time 34 min 37 sec
CPU time 28 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,624.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.10 MB
Peak swap size 6.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:39:33 (50900): wrapper (7.9.26016): starting
03:39:33 (50900): 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
03:39:34 (50900): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:39:34 (50900): 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\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 'C:\ProgramData\BOINC\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
04:13:12 (50900): C:/Windows/system32/cmd.exe exited; CPU time 1699.937500
04:13:12 (50900): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 28487153 bytes.
Dumping objects ->
{3835555} normal block at 0x00000218E40B4250, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835544} normal block at 0x00000218E40B4790, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x00000218E23357B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835522} normal block at 0x00000218E2335740, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835511} normal block at 0x00000218E2335350, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835480} normal block at 0x00000218E4026440, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x00000218E3F50C70, 155 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) : {3835466} normal block at 0x00000218E232E470, 8 bytes long.
 Data: <  s&#226;    > 00 00 73 E2 18 02 00 00 
{3834693} normal block at 0x00000218E3F50F10, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000218E232D840, 8 bytes long.
 Data: < &#187;5&#226;    > 00 BB 35 E2 18 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000218E2331A80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000218E2326BB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000218E2336370, 16 bytes long.
 Data: < p3&#226;            > 18 70 33 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000218E23365F0, 16 bytes long.
 Data: <&#240;o3&#226;            > F0 6F 33 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000218E2330270, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000218E2335D80, 16 bytes long.
 Data: <&#200;o3&#226;            > C8 6F 33 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000218E2336550, 16 bytes long.
 Data: <&#160;o3&#226;            > A0 6F 33 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000218E2336730, 16 bytes long.
 Data: <xo3&#226;            > 78 6F 33 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000218E2336B40, 16 bytes long.
 Data: <Po3&#226;            > 50 6F 33 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000218E23355F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000218E2336820, 16 bytes long.
 Data: <H&#150;2&#226;            > 48 96 32 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000218E2330210, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000218E2336BE0, 16 bytes long.
 Data: < &#150;2&#226;            > 20 96 32 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000218E2336410, 16 bytes long.
 Data: <&#248;&#149;2&#226;            > F8 95 32 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000218E2336960, 16 bytes long.
 Data: <&#208;&#149;2&#226;            > D0 95 32 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000218E2336AF0, 16 bytes long.
 Data: <&#168;&#149;2&#226;            > A8 95 32 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000218E23364B0, 16 bytes long.
 Data: <&#128;&#149;2&#226;            > 80 95 32 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000218E23360F0, 16 bytes long.
 Data: <X&#149;2&#226;            > 58 95 32 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000218E232FEB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000218E2335D30, 16 bytes long.
 Data: <0&#149;2&#226;            > 30 95 32 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000218E2329530, 320 bytes long.
 Data: <0]3&#226;    &#176;&#254;2&#226;    > 30 5D 33 E2 18 02 00 00 B0 FE 32 E2 18 02 00 00 
{276} normal block at 0x00000218E23368C0, 16 bytes long.
 Data: <0o3&#226;            > 30 6F 33 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000218E2336320, 16 bytes long.
 Data: < o3&#226;            > 08 6F 33 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000218E2330870, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000218E2336460, 16 bytes long.
 Data: <&#224;n3&#226;            > E0 6E 33 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000218E232FA30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000218E2335E70, 16 bytes long.
 Data: <(n3&#226;            > 28 6E 33 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000218E2336C80, 16 bytes long.
 Data: < n3&#226;            > 00 6E 33 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000218E23365A0, 16 bytes long.
 Data: <&#216;m3&#226;            > D8 6D 33 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000218E2336280, 16 bytes long.
 Data: <&#176;m3&#226;            > B0 6D 33 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000218E23366E0, 16 bytes long.
 Data: < m3&#226;            > 88 6D 33 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000218E2335DD0, 16 bytes long.
 Data: <`m3&#226;            > 60 6D 33 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000218E2336690, 16 bytes long.
 Data: < X3&#226;            > 20 58 33 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000218E2335820, 40 bytes long.
 Data: <&#144;f3&#226;    @d &#228;    > 90 66 33 E2 18 02 00 00 40 64 02 E4 18 02 00 00 
{262} normal block at 0x00000218E2336A50, 16 bytes long.
 Data: <@m3&#226;            > 40 6D 33 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000218E23369B0, 16 bytes long.
 Data: < m3&#226;            > 18 6D 33 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000218E2330810, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000218E2335F60, 16 bytes long.
 Data: <&#240;l3&#226;            > F0 6C 33 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000218E2336CF0, 992 bytes long.
 Data: <`_3&#226;      3&#226;    > 60 5F 33 E2 18 02 00 00 10 08 33 E2 18 02 00 00 
{94} normal block at 0x00000218E23302D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000218E232D7F0, 16 bytes long.
 Data: <`&#244;2&#226;            > 60 F4 32 E2 18 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000218E232F460, 40 bytes long.
 Data: <&#240;&#215;2&#226;    &#208; 3&#226;    > F0 D7 32 E2 18 02 00 00 D0 02 33 E2 18 02 00 00 
{71} normal block at 0x00000218E232DF70, 16 bytes long.
 Data: <&#128;&#234;/#&#247;           > 80 EA 2F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000218E232DBB0, 16 bytes long.
 Data: <@&#233;/#&#247;           > 40 E9 2F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000218E232DC00, 16 bytes long.
 Data: <&#248;W,#&#247;           > F8 57 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000218E232E6F0, 16 bytes long.
 Data: <&#216;W,#&#247;           > D8 57 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000218E232D7A0, 16 bytes long.
 Data: <P ,#&#247;           > 50 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000218E232E650, 16 bytes long.
 Data: <0 ,#&#247;           > 30 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000218E232E0B0, 16 bytes long.
 Data: <&#224; ,#&#247;           > E0 02 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000218E232DB60, 16 bytes long.
 Data: <  ,#&#247;           > 10 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000218E232E3D0, 16 bytes long.
 Data: <p ,#&#247;           > 70 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000218E232DD40, 16 bytes long.
 Data: < &#192;*#&#247;           > 18 C0 2A 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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