Task 38668759

Name test_311-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND2976_0
Workunit 31611204
Created 25 Oct 2026, 12:40:23 UTC
Sent 25 Oct 2026, 12:40:26 UTC
Report deadline 30 Oct 2026, 12:40:26 UTC
Received 25 Oct 2026, 13:10:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631621
Run time 20 min 46 sec
CPU time 20 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,915.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.25 MB
Peak swap size 11.46 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
07:48:03 (21976): wrapper (7.9.26016): starting
07:48:03 (21976): 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
07:48:04 (21976): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:48:04 (21976): 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\14\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\14\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
08:09:29 (21976): C:/Windows/system32/cmd.exe exited; CPU time 1246.171875
08:09:29 (21976): 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: 24553979 bytes.
Dumping objects ->
{3835207} normal block at 0x000001E7DDD79410, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001E7DDD79BF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x000001E7DDD799C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835174} normal block at 0x000001E7DDD79B80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x000001E7DDD79B10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835132} normal block at 0x000001E7DFB19CE0, 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) : {3835119} normal block at 0x000001E7DDD4C820, 8 bytes long.
 Data: <  &#208;&#221;&#231;   > 00 00 D0 DD E7 01 00 00 
{3833961} normal block at 0x000001E7DDD4C460, 8 bytes long.
 Data: <p&#227;&#167;&#223;&#231;   > 70 E3 A7 DF E7 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001E7DDD455E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E7DDD4D8F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001E7DDD52AD0, 16 bytes long.
 Data: < ?&#213;&#221;&#231;           > 88 3F D5 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E7DDD53750, 16 bytes long.
 Data: <`?&#213;&#221;&#231;           > 60 3F D5 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E7DDD4ED20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001E7DDD531B0, 16 bytes long.
 Data: <8?&#213;&#221;&#231;           > 38 3F D5 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E7DDD535C0, 16 bytes long.
 Data: < ?&#213;&#221;&#231;           > 10 3F D5 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E7DDD532F0, 16 bytes long.
 Data: <&#232;>&#213;&#221;&#231;           > E8 3E D5 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E7DDD52A80, 16 bytes long.
 Data: <&#192;>&#213;&#221;&#231;           > C0 3E D5 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E7DDD51750, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001E7DDD52CB0, 16 bytes long.
 Data: < &#184;&#211;&#221;&#231;           > 08 B8 D3 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E7DDD4E900, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001E7DDD537A0, 16 bytes long.
 Data: <&#224;&#183;&#211;&#221;&#231;           > E0 B7 D3 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E7DDD52A30, 16 bytes long.
 Data: <&#184;&#183;&#211;&#221;&#231;           > B8 B7 D3 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E7DDD536B0, 16 bytes long.
 Data: < &#183;&#211;&#221;&#231;           > 90 B7 D3 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E7DDD529E0, 16 bytes long.
 Data: <h&#183;&#211;&#221;&#231;           > 68 B7 D3 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E7DDD53570, 16 bytes long.
 Data: <@&#183;&#211;&#221;&#231;           > 40 B7 D3 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E7DDD52E40, 16 bytes long.
 Data: < &#183;&#211;&#221;&#231;           > 18 B7 D3 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E7DDD4E960, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001E7DDD52D00, 16 bytes long.
 Data: <&#240;&#182;&#211;&#221;&#231;           > F0 B6 D3 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E7DDD3B6F0, 320 bytes long.
 Data: < -&#213;&#221;&#231;   `&#233;&#212;&#221;&#231;   > 00 2D D5 DD E7 01 00 00 60 E9 D4 DD E7 01 00 00 
{276} normal block at 0x000001E7DDD52D50, 16 bytes long.
 Data: <&#160;>&#213;&#221;&#231;           > A0 3E D5 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E7DDD52BC0, 16 bytes long.
 Data: <x>&#213;&#221;&#231;           > 78 3E D5 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E7DDD4E540, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001E7DDD52F30, 16 bytes long.
 Data: <P>&#213;&#221;&#231;           > 50 3E D5 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E7DDD4E480, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001E7DDD52E90, 16 bytes long.
 Data: < =&#213;&#221;&#231;           > 98 3D D5 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E7DDD52940, 16 bytes long.
 Data: <p=&#213;&#221;&#231;           > 70 3D D5 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E7DDD52990, 16 bytes long.
 Data: <H=&#213;&#221;&#231;           > 48 3D D5 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E7DDD528A0, 16 bytes long.
 Data: < =&#213;&#221;&#231;           > 20 3D D5 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E7DDD53610, 16 bytes long.
 Data: <&#248;<&#213;&#221;&#231;           > F8 3C D5 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E7DDD53110, 16 bytes long.
 Data: <&#208;<&#213;&#221;&#231;           > D0 3C D5 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E7DDD528F0, 16 bytes long.
 Data: <  &#213;&#221;&#231;           > 00 16 D5 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E7DDD51600, 40 bytes long.
 Data: <&#240;(&#213;&#221;&#231;   &#224;&#156;&#177;&#223;&#231;   > F0 28 D5 DD E7 01 00 00 E0 9C B1 DF E7 01 00 00 
{262} normal block at 0x000001E7DDD53250, 16 bytes long.
 Data: <&#176;<&#213;&#221;&#231;           > B0 3C D5 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E7DDD532A0, 16 bytes long.
 Data: < <&#213;&#221;&#231;           > 88 3C D5 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E7DDD4E840, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001E7DDD530C0, 16 bytes long.
 Data: <`<&#213;&#221;&#231;           > 60 3C D5 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E7DDD53C60, 992 bytes long.
 Data: <&#192;0&#213;&#221;&#231;   @&#232;&#212;&#221;&#231;   > C0 30 D5 DD E7 01 00 00 40 E8 D4 DD E7 01 00 00 
{94} normal block at 0x000001E7DDD4E0C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001E7DDD4C050, 16 bytes long.
 Data: <&#240; &#213;&#221;&#231;           > F0 12 D5 DD E7 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001E7DDD512F0, 40 bytes long.
 Data: <P&#192;&#212;&#221;&#231;   &#192;&#224;&#212;&#221;&#231;   > 50 C0 D4 DD E7 01 00 00 C0 E0 D4 DD E7 01 00 00 
{71} normal block at 0x000001E7DDD4BF60, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 90 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E7DDD4CCD0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 90 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E7DDD4C370, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E7DDD4C5F0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E7DDD4C730, 16 bytes long.
 Data: <P   &#246;           > 50 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E7DDD4CB40, 16 bytes long.
 Data: <0   &#246;           > 30 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E7DDD4C410, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E7DDD4C550, 16 bytes long.
 Data: <    &#246;           > 10 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E7DDD4C690, 16 bytes long.
 Data: <p   &#246;           > 70 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E7DDD4CD20, 16 bytes long.
 Data: < &#192;&#139; &#246;           > 18 C0 8B 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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