Task 38653123

Name test_364-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND8252_0
Workunit 31597140
Created 24 Oct 2026, 5:05:30 UTC
Sent 24 Oct 2026, 5:28:34 UTC
Report deadline 29 Oct 2026, 5:28:34 UTC
Received 24 Oct 2026, 6:13:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653145
Run time 33 min 33 sec
CPU time 32 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,909.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.95 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:39:58 (7788): wrapper (7.9.26016): starting
08:39:58 (7788): 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
08:39:59 (7788): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:39:59 (7788): 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
09:12:53 (7788): C:/Windows/system32/cmd.exe exited; CPU time 1938.156250
09:12:53 (7788): 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: 26053029 bytes.
Dumping objects ->
{3835550} normal block at 0x000002626775C670, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x0000026265B944C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835528} normal block at 0x0000026265B94610, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835517} normal block at 0x0000026265B941B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x0000026265B943E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835475} normal block at 0x00000262677A9C60, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x0000026265BB9180, 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) : {3835461} normal block at 0x0000026265B8E1A0, 8 bytes long.
 Data: <   fb   > 00 00 00 66 62 02 00 00 
{3834689} normal block at 0x0000026265BB95E0, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000026265B8E3D0, 8 bytes long.
 Data: <p&#235;&#198;eb   > 70 EB C6 65 62 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000026265B90580, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026265B7C380, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000026265B954F0, 16 bytes long.
 Data: <X[ eb           > 58 5B B9 65 62 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026265B94870, 16 bytes long.
 Data: <0[ eb           > 30 5B B9 65 62 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026265B8F370, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000026265B953B0, 16 bytes long.
 Data: < [ eb           > 08 5B B9 65 62 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026265B94910, 16 bytes long.
 Data: <&#224;Z eb           > E0 5A B9 65 62 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026265B95180, 16 bytes long.
 Data: <&#184;Z eb           > B8 5A B9 65 62 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026265B94FA0, 16 bytes long.
 Data: <&#144;Z eb           > 90 5A B9 65 62 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026265B94530, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000026265B95310, 16 bytes long.
 Data: <X&#244;&#183;eb           > 58 F4 B7 65 62 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026265B8ED70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000026265B94F50, 16 bytes long.
 Data: <0&#244;&#183;eb           > 30 F4 B7 65 62 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026265B95720, 16 bytes long.
 Data: < &#244;&#183;eb           > 08 F4 B7 65 62 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026265B95450, 16 bytes long.
 Data: <&#224;&#243;&#183;eb           > E0 F3 B7 65 62 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026265B95360, 16 bytes long.
 Data: <&#184;&#243;&#183;eb           > B8 F3 B7 65 62 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026265B95630, 16 bytes long.
 Data: <&#144;&#243;&#183;eb           > 90 F3 B7 65 62 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026265B94E10, 16 bytes long.
 Data: <h&#243;&#183;eb           > 68 F3 B7 65 62 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026265B8FAF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000026265B952C0, 16 bytes long.
 Data: <@&#243;&#183;eb           > 40 F3 B7 65 62 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026265B7F340, 320 bytes long.
 Data: <&#192;R eb   &#240;&#250;&#184;eb   > C0 52 B9 65 62 02 00 00 F0 FA B8 65 62 02 00 00 
{274} normal block at 0x0000026265B95090, 16 bytes long.
 Data: <pZ eb           > 70 5A B9 65 62 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026265B95770, 16 bytes long.
 Data: <HZ eb           > 48 5A B9 65 62 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026265B8FA90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000026265B95590, 16 bytes long.
 Data: < Z eb           > 20 5A B9 65 62 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026265B8ED10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000026265B948C0, 16 bytes long.
 Data: <hY eb           > 68 59 B9 65 62 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026265B94E60, 16 bytes long.
 Data: <@Y eb           > 40 59 B9 65 62 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026265B94BE0, 16 bytes long.
 Data: < Y eb           > 18 59 B9 65 62 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026265B94B90, 16 bytes long.
 Data: <&#240;X eb           > F0 58 B9 65 62 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026265B95270, 16 bytes long.
 Data: <&#200;X eb           > C8 58 B9 65 62 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026265B94F00, 16 bytes long.
 Data: <&#160;X eb           > A0 58 B9 65 62 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026265B957C0, 16 bytes long.
 Data: < B eb           > 20 42 B9 65 62 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026265B94220, 40 bytes long.
 Data: <&#192;W eb   `&#156;zgb   > C0 57 B9 65 62 02 00 00 60 9C 7A 67 62 02 00 00 
{260} normal block at 0x0000026265B94DC0, 16 bytes long.
 Data: <&#128;X eb           > 80 58 B9 65 62 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026265B95220, 16 bytes long.
 Data: <XX eb           > 58 58 B9 65 62 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000026265B8F790, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000026265B94D20, 16 bytes long.
 Data: <0X eb           > 30 58 B9 65 62 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000026265B95830, 992 bytes long.
 Data: < M eb   &#144;&#247;&#184;eb   > 20 4D B9 65 62 02 00 00 90 F7 B8 65 62 02 00 00 
{92} normal block at 0x0000026265B8FA30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000026265B8E920, 16 bytes long.
 Data: < &#207;&#183;eb           > 10 CF B7 65 62 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000026265B7CF10, 40 bytes long.
 Data: < &#233;&#184;eb   0&#250;&#184;eb   > 20 E9 B8 65 62 02 00 00 30 FA B8 65 62 02 00 00 
{69} normal block at 0x0000026265B8E330, 16 bytes long.
 Data: <&#128;&#234;= &#247;           > 80 EA 3D 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026265B8EA10, 16 bytes long.
 Data: <@&#233;= &#247;           > 40 E9 3D 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026265B8E8D0, 16 bytes long.
 Data: <&#248;W: &#247;           > F8 57 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026265B8E510, 16 bytes long.
 Data: <&#216;W: &#247;           > D8 57 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026265B8E010, 16 bytes long.
 Data: <P : &#247;           > 50 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026265B8E4C0, 16 bytes long.
 Data: <0 : &#247;           > 30 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026265B8E7E0, 16 bytes long.
 Data: <&#224; : &#247;           > E0 02 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026265B8E600, 16 bytes long.
 Data: <  : &#247;           > 10 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026265B8EB50, 16 bytes long.
 Data: <p : &#247;           > 70 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000026265B8E240, 16 bytes long.
 Data: < &#192;8 &#247;           > 18 C0 38 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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