Task 38661038

Name test_244-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND7641_1
Workunit 31604368
Created 24 Oct 2026, 15:06:26 UTC
Sent 24 Oct 2026, 15:10:13 UTC
Report deadline 29 Oct 2026, 15:10:13 UTC
Received 24 Oct 2026, 22:42:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654844
Run time 34 min 18 sec
CPU time 30 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 655.08 MB
Peak swap size 2.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:48:04 (1184): wrapper (7.9.26016): starting
19:48:04 (1184): 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
19:48:07 (1184): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:48:07 (1184): 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 'G:\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 'G:\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
20:20:43 (1184): C:/Windows/system32/cmd.exe exited; CPU time 1818.640625
20:20:43 (1184): 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: 22054733 bytes.
Dumping objects ->
{3835451} normal block at 0x0000024F4B525790, 48 bytes long.
 Data: <PATH=G:\ProgramD> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 
{3835440} normal block at 0x0000024F4B525720, 48 bytes long.
 Data: <HOME=G:\ProgramD> 48 4F 4D 45 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 
{3835429} normal block at 0x0000024F4B525D40, 48 bytes long.
 Data: <TMP=G:\ProgramDa> 54 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835418} normal block at 0x0000024F4B525CD0, 48 bytes long.
 Data: <TEMP=G:\ProgramD> 54 45 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 
{3835407} normal block at 0x0000024F4B5256B0, 48 bytes long.
 Data: <TMPDIR=G:\Progra> 54 4D 50 44 49 52 3D 47 3A 5C 50 72 6F 67 72 61 
{3835376} normal block at 0x0000024F4CFFB9C0, 64 bytes long.
 Data: <PATH=G:\ProgramD> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 
{3835365} normal block at 0x0000024F4CFF2620, 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) : {3835362} normal block at 0x0000024F4B4F6E50, 8 bytes long.
 Data: <  LKO   > 00 00 4C 4B 4F 02 00 00 
{3834641} normal block at 0x0000024F4CFF2540, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000024F4B4F6130, 8 bytes long.
 Data: <&#224;  LO   > E0 19 FF 4C 4F 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000024F4B4FFC00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024F4B4FBFE0, 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 0x0000024F4B500BF0, 16 bytes long.
 Data: <H2PKO           > 48 32 50 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024F4B501550, 16 bytes long.
 Data: < 2PKO           > 20 32 50 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024F4B4FC670, 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 0x0000024F4B500EC0, 16 bytes long.
 Data: <&#248;1PKO           > F8 31 50 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024F4B5014B0, 16 bytes long.
 Data: <&#208;1PKO           > D0 31 50 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024F4B5013C0, 16 bytes long.
 Data: <&#168;1PKO           > A8 31 50 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024F4B501410, 16 bytes long.
 Data: < 1PKO           > 80 31 50 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024F4B4FAF30, 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 0x0000024F4B501910, 16 bytes long.
 Data: <&#184;&#173;NKO           > B8 AD 4E 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024F4B4FCC70, 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 0x0000024F4B5012D0, 16 bytes long.
 Data: < &#173;NKO           > 90 AD 4E 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024F4B501A00, 16 bytes long.
 Data: <h&#173;NKO           > 68 AD 4E 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024F4B5018C0, 16 bytes long.
 Data: <@&#173;NKO           > 40 AD 4E 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024F4B500DD0, 16 bytes long.
 Data: < &#173;NKO           > 18 AD 4E 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024F4B501500, 16 bytes long.
 Data: <&#240;&#172;NKO           > F0 AC 4E 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024F4B501280, 16 bytes long.
 Data: <&#200;&#172;NKO           > C8 AC 4E 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024F4B4FCC10, 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 0x0000024F4B501230, 16 bytes long.
 Data: <&#160;&#172;NKO           > A0 AC 4E 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024F4B4EACA0, 320 bytes long.
 Data: <0 PKO    &#204;OKO   > 30 12 50 4B 4F 02 00 00 10 CC 4F 4B 4F 02 00 00 
{268} normal block at 0x0000024F4B500E20, 16 bytes long.
 Data: <`1PKO           > 60 31 50 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024F4B501820, 16 bytes long.
 Data: <81PKO           > 38 31 50 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024F4B4FCEB0, 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 0x0000024F4B501370, 16 bytes long.
 Data: < 1PKO           > 10 31 50 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024F4B4FCF70, 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 0x0000024F4B500BA0, 16 bytes long.
 Data: <X0PKO           > 58 30 50 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024F4B5011E0, 16 bytes long.
 Data: <00PKO           > 30 30 50 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024F4B500CE0, 16 bytes long.
 Data: < 0PKO           > 08 30 50 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024F4B5016E0, 16 bytes long.
 Data: <&#224;/PKO           > E0 2F 50 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024F4B500D30, 16 bytes long.
 Data: <&#184;/PKO           > B8 2F 50 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024F4B500D80, 16 bytes long.
 Data: < /PKO           > 90 2F 50 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024F4B501190, 16 bytes long.
 Data: < &#179;OKO           > 90 B3 4F 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000024F4B4FB390, 40 bytes long.
 Data: <  PKO   &#192;&#185; LO   > 90 11 50 4B 4F 02 00 00 C0 B9 FF 4C 4F 02 00 00 
{254} normal block at 0x0000024F4B500B50, 16 bytes long.
 Data: <p/PKO           > 70 2F 50 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000024F4B500FB0, 16 bytes long.
 Data: <H/PKO           > 48 2F 50 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000024F4B4FCDF0, 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 0x0000024F4B501050, 16 bytes long.
 Data: < /PKO           > 20 2F 50 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000024F4B502F20, 992 bytes long.
 Data: <P PKO   &#240;&#205;OKO   > 50 10 50 4B 4F 02 00 00 F0 CD 4F 4B 4F 02 00 00 
{86} normal block at 0x0000024F4B4FC5B0, 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 0x0000024F4B4F68B0, 16 bytes long.
 Data: <`&#177;OKO           > 60 B1 4F 4B 4F 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000024F4B4FB160, 40 bytes long.
 Data: <&#176;hOKO   &#176;&#197;OKO   > B0 68 4F 4B 4F 02 00 00 B0 C5 4F 4B 4F 02 00 00 
{63} normal block at 0x0000024F4B4F6590, 16 bytes long.
 Data: < &#234;"&#209;&#246;           > 80 EA 22 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024F4B4F6A90, 16 bytes long.
 Data: <@&#233;"&#209;&#246;           > 40 E9 22 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024F4B4F6FE0, 16 bytes long.
 Data: <&#248;W &#209;&#246;           > F8 57 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024F4B4F6CC0, 16 bytes long.
 Data: <&#216;W &#209;&#246;           > D8 57 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024F4B4F6400, 16 bytes long.
 Data: <P  &#209;&#246;           > 50 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024F4B4F69F0, 16 bytes long.
 Data: <0  &#209;&#246;           > 30 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000024F4B4F6860, 16 bytes long.
 Data: <&#224;  &#209;&#246;           > E0 02 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000024F4B4F7080, 16 bytes long.
 Data: <   &#209;&#246;           > 10 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000024F4B4F63B0, 16 bytes long.
 Data: <p  &#209;&#246;           > 70 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000024F4B4F6B80, 16 bytes long.
 Data: < &#192; &#209;&#246;           > 18 C0 1D D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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