Task 38681369

Name test_906-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND9325_0
Workunit 31623037
Created 27 Oct 2026, 3:41:17 UTC
Sent 27 Oct 2026, 3:41:22 UTC
Report deadline 1 Nov 2026, 3:41:22 UTC
Received 27 Oct 2026, 4:10:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464557
Run time 28 min 4 sec
CPU time 26 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,072.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 675.90 MB
Peak swap size 3.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:42:42 (5312): wrapper (7.9.26016): starting
04:42:42 (5312): 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
04:42:43 (5312): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:42:43 (5312): 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:\BOINC\ProgramData\slots\2\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:\BOINC\ProgramData\slots\2\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
05:09:43 (5312): C:/Windows/system32/cmd.exe exited; CPU time 1596.500000
05:09:43 (5312): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 19775635 bytes.
Dumping objects ->
{3835241} normal block at 0x000001AC7F381350, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835230} normal block at 0x000001AC7F380F60, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835219} normal block at 0x000001AC7F3810B0, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835208} normal block at 0x000001AC7F380EF0, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835197} normal block at 0x000001AC7F380B00, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835166} normal block at 0x000001AC7F4BF970, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835155} normal block at 0x000001AC7EE20600, 160 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) : {3835152} normal block at 0x000001AC7EE171D0, 8 bytes long.
 Data: <  &#219;~&#172;   > 00 00 DB 7E AC 01 00 00 
{3834548} normal block at 0x000001AC7EE20440, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001AC7EE16FF0, 8 bytes long.
 Data: <`&#219;U &#172;   > 60 DB 55 7F AC 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001AC7EE252B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001AC7EE261F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001AC7EE26CA0, 16 bytes long.
 Data: < w&#226;~&#172;           > 88 77 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AC7EE26C50, 16 bytes long.
 Data: <`w&#226;~&#172;           > 60 77 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AC7EE1C0B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001AC7EE26A20, 16 bytes long.
 Data: <8w&#226;~&#172;           > 38 77 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AC7EE269D0, 16 bytes long.
 Data: < w&#226;~&#172;           > 10 77 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AC7EE26840, 16 bytes long.
 Data: <&#232;v&#226;~&#172;           > E8 76 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001AC7EE266B0, 16 bytes long.
 Data: <&#192;v&#226;~&#172;           > C0 76 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AC7EE1E490, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001AC7EE264D0, 16 bytes long.
 Data: < a&#226;~&#172;           > 88 61 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AC7EE1C1D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001AC7EE26660, 16 bytes long.
 Data: <`a&#226;~&#172;           > 60 61 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AC7EE26340, 16 bytes long.
 Data: <8a&#226;~&#172;           > 38 61 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AC7EE26890, 16 bytes long.
 Data: < a&#226;~&#172;           > 10 61 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AC7EE263E0, 16 bytes long.
 Data: <&#232;`&#226;~&#172;           > E8 60 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AC7EE26ED0, 16 bytes long.
 Data: <&#192;`&#226;~&#172;           > C0 60 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AC7EE262F0, 16 bytes long.
 Data: < `&#226;~&#172;           > 98 60 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AC7EE1C890, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001AC7EE27240, 16 bytes long.
 Data: <p`&#226;~&#172;           > 70 60 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AC7EE26070, 320 bytes long.
 Data: <@r&#226;~&#172;    &#200;&#225;~&#172;   > 40 72 E2 7E AC 01 00 00 90 C8 E1 7E AC 01 00 00 
{271} normal block at 0x000001AC7EE26570, 16 bytes long.
 Data: <&#160;v&#226;~&#172;           > A0 76 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AC7EE26520, 16 bytes long.
 Data: <xv&#226;~&#172;           > 78 76 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AC7EE1C9B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001AC7EE26480, 16 bytes long.
 Data: <Pv&#226;~&#172;           > 50 76 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AC7EE1C470, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001AC7EE26980, 16 bytes long.
 Data: < u&#226;~&#172;           > 98 75 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AC7EE271F0, 16 bytes long.
 Data: <pu&#226;~&#172;           > 70 75 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AC7EE26930, 16 bytes long.
 Data: <Hu&#226;~&#172;           > 48 75 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AC7EE27010, 16 bytes long.
 Data: < u&#226;~&#172;           > 20 75 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AC7EE26C00, 16 bytes long.
 Data: <&#248;t&#226;~&#172;           > F8 74 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AC7EE26F20, 16 bytes long.
 Data: <&#208;t&#226;~&#172;           > D0 74 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001AC7EE271A0, 16 bytes long.
 Data: <&#176;&#227;&#225;~&#172;           > B0 E3 E1 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001AC7EE1E3B0, 40 bytes long.
 Data: <&#160;q&#226;~&#172;   p&#249;K &#172;   > A0 71 E2 7E AC 01 00 00 70 F9 4B 7F AC 01 00 00 
{257} normal block at 0x000001AC7EE26BB0, 16 bytes long.
 Data: <&#176;t&#226;~&#172;           > B0 74 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001AC7EE26430, 16 bytes long.
 Data: < t&#226;~&#172;           > 88 74 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001AC7EE1C830, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001AC7EE270B0, 16 bytes long.
 Data: <`t&#226;~&#172;           > 60 74 E2 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001AC7EE27460, 992 bytes long.
 Data: <&#176;p&#226;~&#172;   0&#200;&#225;~&#172;   > B0 70 E2 7E AC 01 00 00 30 C8 E1 7E AC 01 00 00 
{89} normal block at 0x000001AC7EE1C290, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001AC7EE179A0, 16 bytes long.
 Data: <`&#226;&#225;~&#172;           > 60 E2 E1 7E AC 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001AC7EE1E260, 40 bytes long.
 Data: <&#160;y&#225;~&#172;    &#194;&#225;~&#172;   > A0 79 E1 7E AC 01 00 00 90 C2 E1 7E AC 01 00 00 
{66} normal block at 0x000001AC7EE17A40, 16 bytes long.
 Data: < &#234;&#238;&#224;&#247;           > 80 EA EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AC7EE17540, 16 bytes long.
 Data: <@&#233;&#238;&#224;&#247;           > 40 E9 EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AC7EE17900, 16 bytes long.
 Data: <&#248;W&#235;&#224;&#247;           > F8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AC7EE17450, 16 bytes long.
 Data: <&#216;W&#235;&#224;&#247;           > D8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AC7EE178B0, 16 bytes long.
 Data: <P &#235;&#224;&#247;           > 50 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001AC7EE174F0, 16 bytes long.
 Data: <0 &#235;&#224;&#247;           > 30 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001AC7EE17860, 16 bytes long.
 Data: <&#224; &#235;&#224;&#247;           > E0 02 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001AC7EE17B30, 16 bytes long.
 Data: <  &#235;&#224;&#247;           > 10 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001AC7EE17810, 16 bytes long.
 Data: <p &#235;&#224;&#247;           > 70 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001AC7EE17CC0, 16 bytes long.
 Data: < &#192;&#233;&#224;&#247;           > 18 C0 E9 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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