Task 38682423

Name test_209-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND5102_0
Workunit 31624037
Created 27 Oct 2026, 7:45:21 UTC
Sent 27 Oct 2026, 7:45:24 UTC
Report deadline 1 Nov 2026, 7:45:24 UTC
Received 27 Oct 2026, 8:40:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627058
Run time 26 min 59 sec
CPU time 24 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,795.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 762.27 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
09:12:39 (29916): wrapper (7.9.26016): starting
09:12:39 (29916): 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
09:12:40 (29916): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:12:40 (29916): 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\64\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\64\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
09:38:46 (29916): C:/Windows/system32/cmd.exe exited; CPU time 1498.187500
09:38:46 (29916): 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: 37086481 bytes.
Dumping objects ->
{3835524} normal block at 0x00000215316DE1D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835513} normal block at 0x00000215316DDE50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x000002152F946680, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835491} normal block at 0x000002152F946300, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x000002152F946610, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835449} normal block at 0x0000021531727130, 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) : {3835436} normal block at 0x000002152F9403D0, 8 bytes long.
 Data: <  &#230;/    > 00 00 E6 2F 15 02 00 00 
{3833967} normal block at 0x000002152F940BF0, 8 bytes long.
 Data: <&#160; k1    > A0 05 6B 31 15 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002152F942560, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002152F937380, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000002152F946BA0, 16 bytes long.
 Data: <  &#148;/            > 88 7F 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002152F9470F0, 16 bytes long.
 Data: <` &#148;/            > 60 7F 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002152F93EC10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000002152F946B50, 16 bytes long.
 Data: <8 &#148;/            > 38 7F 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002152F947410, 16 bytes long.
 Data: <  &#148;/            > 10 7F 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002152F947280, 16 bytes long.
 Data: <&#232;~&#148;/            > E8 7E 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002152F946A10, 16 bytes long.
 Data: <&#192;~&#148;/            > C0 7E 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002152F946530, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000002152F946FB0, 16 bytes long.
 Data: <Xh&#148;/            > 58 68 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002152F93E6D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000002152F946A60, 16 bytes long.
 Data: <0h&#148;/            > 30 68 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002152F946DD0, 16 bytes long.
 Data: < h&#148;/            > 08 68 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002152F947550, 16 bytes long.
 Data: <&#224;g&#148;/            > E0 67 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002152F946E70, 16 bytes long.
 Data: <&#184;g&#148;/            > B8 67 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002152F946D80, 16 bytes long.
 Data: < g&#148;/            > 90 67 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002152F946F60, 16 bytes long.
 Data: <hg&#148;/            > 68 67 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002152F93EE50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000002152F946C40, 16 bytes long.
 Data: <@g&#148;/            > 40 67 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002152F946740, 320 bytes long.
 Data: <@l&#148;/    P&#238;&#147;/    > 40 6C 94 2F 15 02 00 00 50 EE 93 2F 15 02 00 00 
{279} normal block at 0x000002152F947910, 16 bytes long.
 Data: <&#160;~&#148;/            > A0 7E 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002152F946F10, 16 bytes long.
 Data: <x~&#148;/            > 78 7E 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002152F93E610, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000002152F946CE0, 16 bytes long.
 Data: <P~&#148;/            > 50 7E 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002152F93F510, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000002152F946EC0, 16 bytes long.
 Data: < }&#148;/            > 98 7D 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002152F9471E0, 16 bytes long.
 Data: <p}&#148;/            > 70 7D 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002152F947190, 16 bytes long.
 Data: <H}&#148;/            > 48 7D 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002152F946B00, 16 bytes long.
 Data: < }&#148;/            > 20 7D 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002152F947320, 16 bytes long.
 Data: <&#248;|&#148;/            > F8 7C 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002152F9478C0, 16 bytes long.
 Data: <&#208;|&#148;/            > D0 7C 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002152F9469C0, 16 bytes long.
 Data: <&#240;_&#148;/            > F0 5F 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002152F945FF0, 40 bytes long.
 Data: <&#192;i&#148;/    0qr1    > C0 69 94 2F 15 02 00 00 30 71 72 31 15 02 00 00 
{265} normal block at 0x000002152F946E20, 16 bytes long.
 Data: <&#176;|&#148;/            > B0 7C 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002152F9477D0, 16 bytes long.
 Data: < |&#148;/            > 88 7C 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002152F93F090, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000002152F946C90, 16 bytes long.
 Data: <`|&#148;/            > 60 7C 94 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002152F947C60, 992 bytes long.
 Data: < l&#148;/     &#240;&#147;/    > 90 6C 94 2F 15 02 00 00 90 F0 93 2F 15 02 00 00 
{97} normal block at 0x000002152F93E8B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002152F9401A0, 16 bytes long.
 Data: < &#220;&#146;/            > 80 DC 92 2F 15 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002152F92DC80, 40 bytes long.
 Data: <&#160; &#148;/    &#176;&#232;&#147;/    > A0 01 94 2F 15 02 00 00 B0 E8 93 2F 15 02 00 00 
{74} normal block at 0x000002152F940240, 16 bytes long.
 Data: < &#234;&#236; &#246;           > 80 EA EC 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002152F9406F0, 16 bytes long.
 Data: <@&#233;&#236; &#246;           > 40 E9 EC 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002152F940BA0, 16 bytes long.
 Data: <&#248;W&#233; &#246;           > F8 57 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002152F940420, 16 bytes long.
 Data: <&#216;W&#233; &#246;           > D8 57 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002152F940B50, 16 bytes long.
 Data: <P &#233; &#246;           > 50 04 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002152F9406A0, 16 bytes long.
 Data: <0 &#233; &#246;           > 30 04 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002152F9400B0, 16 bytes long.
 Data: <&#224; &#233; &#246;           > E0 02 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002152F940E70, 16 bytes long.
 Data: <  &#233; &#246;           > 10 04 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002152F940B00, 16 bytes long.
 Data: <p &#233; &#246;           > 70 04 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002152F940920, 16 bytes long.
 Data: < &#192;&#231; &#246;           > 18 C0 E7 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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