Task 38669279

Name test_484-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND3527_0
Workunit 31611649
Created 25 Oct 2026, 14:09:20 UTC
Sent 25 Oct 2026, 14:09:27 UTC
Report deadline 30 Oct 2026, 14:09:27 UTC
Received 25 Oct 2026, 16:04:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632067
Run time 1 hours 53 min 34 sec
CPU time 1 hours 49 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,333.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.53 MB
Peak swap size 8.38 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
09:13:24 (27020): wrapper (7.9.26016): starting
09:13:24 (27020): 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
09:13:25 (27020): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:13:25 (27020): 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
11:03:45 (27020): C:/Windows/system32/cmd.exe exited; CPU time 6545.750000
11:03:45 (27020): 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: 120289769 bytes.
Dumping objects ->
{3835438} normal block at 0x00000217C1DDD1C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x00000217C1DB75D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835416} normal block at 0x00000217C1DB73A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835405} normal block at 0x00000217C1DB7410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835394} normal block at 0x00000217C1DB72C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835363} normal block at 0x00000217C3B2DC50, 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) : {3835350} normal block at 0x00000217C1DB0F40, 8 bytes long.
 Data: <  &&#194;    > 00 00 26 C2 17 02 00 00 
{3833965} normal block at 0x00000217C1DB0810, 8 bytes long.
 Data: <&#192;&#190;&#221;&#193;    > C0 BE DD C1 17 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000217C1DA7070, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000217C1DA8230, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000217C1DB8570, 16 bytes long.
 Data: < &#139;&#219;&#193;            > 88 8B DB C1 17 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000217C1DB82A0, 16 bytes long.
 Data: <`&#139;&#219;&#193;            > 60 8B DB C1 17 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000217C1DAEC10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000217C1DB7BC0, 16 bytes long.
 Data: <8&#139;&#219;&#193;            > 38 8B DB C1 17 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000217C1DB8660, 16 bytes long.
 Data: < &#139;&#219;&#193;            > 10 8B DB C1 17 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000217C1DB7E90, 16 bytes long.
 Data: <&#232;&#138;&#219;&#193;            > E8 8A DB C1 17 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000217C1DB8520, 16 bytes long.
 Data: <&#192;&#138;&#219;&#193;            > C0 8A DB C1 17 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000217C1DB74F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000217C1DB8750, 16 bytes long.
 Data: < &#189;&#217;&#193;            > 98 BD D9 C1 17 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000217C1DAE970, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000217C1DB81B0, 16 bytes long.
 Data: <p&#189;&#217;&#193;            > 70 BD D9 C1 17 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000217C1DB7F80, 16 bytes long.
 Data: <H&#189;&#217;&#193;            > 48 BD D9 C1 17 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000217C1DB7940, 16 bytes long.
 Data: < &#189;&#217;&#193;            > 20 BD D9 C1 17 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000217C1DB7CB0, 16 bytes long.
 Data: <&#248;&#188;&#217;&#193;            > F8 BC D9 C1 17 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000217C1DB7B70, 16 bytes long.
 Data: <&#208;&#188;&#217;&#193;            > D0 BC D9 C1 17 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000217C1DB7B20, 16 bytes long.
 Data: <&#168;&#188;&#217;&#193;            > A8 BC D9 C1 17 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000217C1DAED30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000217C1DB7D00, 16 bytes long.
 Data: < &#188;&#217;&#193;            > 80 BC D9 C1 17 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000217C1D9BC80, 320 bytes long.
 Data: < }&#219;&#193;    0&#237;&#218;&#193;    > 00 7D DB C1 17 02 00 00 30 ED DA C1 17 02 00 00 
{278} normal block at 0x00000217C1DB8250, 16 bytes long.
 Data: <&#160;&#138;&#219;&#193;            > A0 8A DB C1 17 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000217C1DB84D0, 16 bytes long.
 Data: <x&#138;&#219;&#193;            > 78 8A DB C1 17 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000217C1DAF5D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000217C1DB7AD0, 16 bytes long.
 Data: <P&#138;&#219;&#193;            > 50 8A DB C1 17 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000217C1DAECD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000217C1DB7FD0, 16 bytes long.
 Data: < &#137;&#219;&#193;            > 98 89 DB C1 17 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000217C1DB8200, 16 bytes long.
 Data: <p&#137;&#219;&#193;            > 70 89 DB C1 17 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000217C1DB85C0, 16 bytes long.
 Data: <H&#137;&#219;&#193;            > 48 89 DB C1 17 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000217C1DB7DA0, 16 bytes long.
 Data: < &#137;&#219;&#193;            > 20 89 DB C1 17 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000217C1DB7E40, 16 bytes long.
 Data: <&#248; &#219;&#193;            > F8 88 DB C1 17 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000217C1DB8480, 16 bytes long.
 Data: <&#208; &#219;&#193;            > D0 88 DB C1 17 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000217C1DB7D50, 16 bytes long.
 Data: <0s&#219;&#193;            > 30 73 DB C1 17 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000217C1DB7330, 40 bytes long.
 Data: <P}&#219;&#193;    P&#220;&#178;&#195;    > 50 7D DB C1 17 02 00 00 50 DC B2 C3 17 02 00 00 
{264} normal block at 0x00000217C1DB7A30, 16 bytes long.
 Data: <&#176; &#219;&#193;            > B0 88 DB C1 17 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000217C1DB8340, 16 bytes long.
 Data: <  &#219;&#193;            > 88 88 DB C1 17 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000217C1DAF570, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000217C1DB7A80, 16 bytes long.
 Data: <` &#219;&#193;            > 60 88 DB C1 17 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000217C1DB8860, 992 bytes long.
 Data: < z&#219;&#193;    p&#245;&#218;&#193;    > 80 7A DB C1 17 02 00 00 70 F5 DA C1 17 02 00 00 
{96} normal block at 0x00000217C1DAF4B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000217C1DB0C20, 16 bytes long.
 Data: <&#160;&#201;&#217;&#193;            > A0 C9 D9 C1 17 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000217C1D9C9A0, 40 bytes long.
 Data: <  &#219;&#193;    &#176;&#244;&#218;&#193;    > 20 0C DB C1 17 02 00 00 B0 F4 DA C1 17 02 00 00 
{73} normal block at 0x00000217C1DB1300, 16 bytes long.
 Data: < &#234;# &#246;           > 80 EA 23 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000217C1DB0AE0, 16 bytes long.
 Data: <@&#233;# &#246;           > 40 E9 23 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000217C1DB0B30, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000217C1DB11C0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000217C1DB0EF0, 16 bytes long.
 Data: <P   &#246;           > 50 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000217C1DB0A90, 16 bytes long.
 Data: <0   &#246;           > 30 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000217C1DB0BD0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000217C1DB1350, 16 bytes long.
 Data: <    &#246;           > 10 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000217C1DB0770, 16 bytes long.
 Data: <p   &#246;           > 70 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000217C1DB0A40, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 1E 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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