Task 38682094

Name test_169-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND5535_0
Workunit 31623728
Created 27 Oct 2026, 6:32:47 UTC
Sent 27 Oct 2026, 6:32:54 UTC
Report deadline 1 Nov 2026, 6:32:54 UTC
Received 27 Oct 2026, 7:08:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631893
Run time 34 min 3 sec
CPU time 31 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,670.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.66 MB
Peak swap size 9.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:36:04 (23372): wrapper (7.9.26016): starting
01:36:04 (23372): 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
01:36:05 (23372): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:36:05 (23372): 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\1\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\1\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
02:08:36 (23372): C:/Windows/system32/cmd.exe exited; CPU time 1914.578125
02:08:36 (23372): 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: 32906991 bytes.
Dumping objects ->
{3835441} normal block at 0x00000195F06C7890, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835430} normal block at 0x00000195F06C7820, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835419} normal block at 0x00000195F06C7740, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835408} normal block at 0x00000195F06C7B30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835397} normal block at 0x00000195F06C76D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835366} normal block at 0x00000195F23FC6D0, 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) : {3835353} normal block at 0x00000195F06BE160, 8 bytes long.
 Data: <  &#171;&#240;&#149;   > 00 00 AB F0 95 01 00 00 
{3833965} normal block at 0x00000195F06BE110, 8 bytes long.
 Data: < &#223;j&#240;&#149;   > 90 DF 6A F0 95 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000195F06C12A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000195F06B7430, 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 0x00000195F06C8520, 16 bytes long.
 Data: <&#216; l&#240;&#149;           > D8 90 6C F0 95 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000195F06C8340, 16 bytes long.
 Data: <&#176; l&#240;&#149;           > B0 90 6C F0 95 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000195F06C0CD0, 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 0x00000195F06C8700, 16 bytes long.
 Data: <  l&#240;&#149;           > 88 90 6C F0 95 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000195F06C7FD0, 16 bytes long.
 Data: <` l&#240;&#149;           > 60 90 6C F0 95 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000195F06C8930, 16 bytes long.
 Data: <8 l&#240;&#149;           > 38 90 6C F0 95 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000195F06C7F80, 16 bytes long.
 Data: <  l&#240;&#149;           > 10 90 6C F0 95 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000195F06C7970, 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 0x00000195F06C8570, 16 bytes long.
 Data: <&#248;&#250;j&#240;&#149;           > F8 FA 6A F0 95 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000195F06C0670, 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 0x00000195F06C7EE0, 16 bytes long.
 Data: <&#208;&#250;j&#240;&#149;           > D0 FA 6A F0 95 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000195F06C8CF0, 16 bytes long.
 Data: <&#168;&#250;j&#240;&#149;           > A8 FA 6A F0 95 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000195F06C86B0, 16 bytes long.
 Data: < &#250;j&#240;&#149;           > 80 FA 6A F0 95 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000195F06C7E90, 16 bytes long.
 Data: <X&#250;j&#240;&#149;           > 58 FA 6A F0 95 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000195F06C8840, 16 bytes long.
 Data: <0&#250;j&#240;&#149;           > 30 FA 6A F0 95 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000195F06C88E0, 16 bytes long.
 Data: < &#250;j&#240;&#149;           > 08 FA 6A F0 95 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000195F06C0010, 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 0x00000195F06C82F0, 16 bytes long.
 Data: <&#224;&#249;j&#240;&#149;           > E0 F9 6A F0 95 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000195F06AF9E0, 320 bytes long.
 Data: <&#240;&#130;l&#240;&#149;     l&#240;&#149;   > F0 82 6C F0 95 01 00 00 10 00 6C F0 95 01 00 00 
{278} normal block at 0x00000195F06C80C0, 16 bytes long.
 Data: <&#240; l&#240;&#149;           > F0 8F 6C F0 95 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000195F06C8390, 16 bytes long.
 Data: <&#200; l&#240;&#149;           > C8 8F 6C F0 95 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000195F06C0910, 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 0x00000195F06C8070, 16 bytes long.
 Data: <&#160; l&#240;&#149;           > A0 8F 6C F0 95 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000195F06C0130, 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 0x00000195F06C82A0, 16 bytes long.
 Data: <&#232;&#142;l&#240;&#149;           > E8 8E 6C F0 95 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000195F06C7F30, 16 bytes long.
 Data: <&#192;&#142;l&#240;&#149;           > C0 8E 6C F0 95 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000195F06C8250, 16 bytes long.
 Data: < &#142;l&#240;&#149;           > 98 8E 6C F0 95 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000195F06C8CA0, 16 bytes long.
 Data: <p&#142;l&#240;&#149;           > 70 8E 6C F0 95 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000195F06C8200, 16 bytes long.
 Data: <H&#142;l&#240;&#149;           > 48 8E 6C F0 95 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000195F06C8BB0, 16 bytes long.
 Data: < &#142;l&#240;&#149;           > 20 8E 6C F0 95 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000195F06C8610, 16 bytes long.
 Data: <Pzl&#240;&#149;           > 50 7A 6C F0 95 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000195F06C7A50, 40 bytes long.
 Data: < &#134;l&#240;&#149;   &#208;&#198;?&#242;&#149;   > 10 86 6C F0 95 01 00 00 D0 C6 3F F2 95 01 00 00 
{264} normal block at 0x00000195F06C81B0, 16 bytes long.
 Data: < &#142;l&#240;&#149;           > 00 8E 6C F0 95 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000195F06C8A20, 16 bytes long.
 Data: <&#216; l&#240;&#149;           > D8 8D 6C F0 95 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000195F06C08B0, 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 0x00000195F06C87A0, 16 bytes long.
 Data: <&#176; l&#240;&#149;           > B0 8D 6C F0 95 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000195F06C8DB0, 992 bytes long.
 Data: <&#160;&#135;l&#240;&#149;   &#176; l&#240;&#149;   > A0 87 6C F0 95 01 00 00 B0 08 6C F0 95 01 00 00 
{96} normal block at 0x00000195F06C05B0, 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 0x00000195F06BE2A0, 16 bytes long.
 Data: < &#246;j&#240;&#149;           > 90 F6 6A F0 95 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000195F06AF690, 40 bytes long.
 Data: <&#160;&#226;k&#240;&#149;   &#176; l&#240;&#149;   > A0 E2 6B F0 95 01 00 00 B0 05 6C F0 95 01 00 00 
{73} normal block at 0x00000195F06BE0C0, 16 bytes long.
 Data: < &#234;%K&#246;           > 80 EA 25 4B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000195F06BE200, 16 bytes long.
 Data: <@&#233;%K&#246;           > 40 E9 25 4B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000195F06BE7F0, 16 bytes long.
 Data: <&#248;W"K&#246;           > F8 57 22 4B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000195F06BDDF0, 16 bytes long.
 Data: <&#216;W"K&#246;           > D8 57 22 4B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000195F06BE390, 16 bytes long.
 Data: <P "K&#246;           > 50 04 22 4B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000195F06BE5C0, 16 bytes long.
 Data: <0 "K&#246;           > 30 04 22 4B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000195F06BDD50, 16 bytes long.
 Data: <&#224; "K&#246;           > E0 02 22 4B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000195F06BDF80, 16 bytes long.
 Data: <  "K&#246;           > 10 04 22 4B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000195F06BE430, 16 bytes long.
 Data: <p "K&#246;           > 70 04 22 4B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000195F06BDF30, 16 bytes long.
 Data: < &#192; K&#246;           > 18 C0 20 4B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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