Task 38688238

Name test_16-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND9582_0
Workunit 31629598
Created 28 Oct 2026, 12:37:03 UTC
Sent 28 Oct 2026, 12:37:08 UTC
Report deadline 2 Nov 2026, 12:37:08 UTC
Received 28 Oct 2026, 13:13:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610949
Run time 34 min 48 sec
CPU time 28 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.03 MB
Peak swap size 9.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:38:36 (8376): wrapper (7.9.26016): starting
21:38:36 (8376): 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
21:38:37 (8376): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:38:38 (8376): 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\18\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\18\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
22:12:24 (8376): C:/Windows/system32/cmd.exe exited; CPU time 1720.968750
22:12:24 (8376): 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: 47895197 bytes.
Dumping objects ->
{3835380} normal block at 0x00000253C3361A00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835369} normal block at 0x00000253C3361B50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835358} normal block at 0x00000253C3362170, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835347} normal block at 0x00000253C3362100, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835336} normal block at 0x00000253C33621E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835305} normal block at 0x00000253C328A850, 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) : {3835292} normal block at 0x00000253BF9DD2D0, 8 bytes long.
 Data: <  =&#195;S   > 00 00 3D C3 53 02 00 00 
{3834077} normal block at 0x00000253BF9DD870, 8 bytes long.
 Data: < ,3&#195;S   > E0 2C 33 C3 53 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000253BF9CE530, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000253BF9C77B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000253BF9DD690, 16 bytes long.
 Data: <8&#209; &#191;S           > 38 D1 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000253BF9DE1D0, 16 bytes long.
 Data: < &#209; &#191;S           > 10 D1 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000253BF9D5C60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000253BF9DE090, 16 bytes long.
 Data: < &#208; &#191;S           > E8 D0 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000253BF9DDD20, 16 bytes long.
 Data: <&#192;&#208; &#191;S           > C0 D0 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000253BF9D9AE0, 16 bytes long.
 Data: < &#208; &#191;S           > 98 D0 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000253BF9D9950, 16 bytes long.
 Data: <p&#208; &#191;S           > 70 D0 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000253BF9D7E80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000253BF9D9C70, 16 bytes long.
 Data: < w &#191;S           > 88 77 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000253BF9D6020, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000253BF9D9270, 16 bytes long.
 Data: <`w &#191;S           > 60 77 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000253BF9D9900, 16 bytes long.
 Data: <8w &#191;S           > 38 77 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000253BF9DA080, 16 bytes long.
 Data: < w &#191;S           > 10 77 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000253BF9D95E0, 16 bytes long.
 Data: < v &#191;S           > E8 76 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000253BF9D9A90, 16 bytes long.
 Data: <&#192;v &#191;S           > C0 76 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000253BF9D96D0, 16 bytes long.
 Data: < v &#191;S           > 98 76 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000253BF9D5C00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000253BF9D9EF0, 16 bytes long.
 Data: <pv &#191;S           > 70 76 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000253BF9D7670, 320 bytes long.
 Data: <   &#191;S    \ &#191;S   > F0 9E 9D BF 53 02 00 00 00 5C 9D BF 53 02 00 00 
{281} normal block at 0x00000253BF9D9B80, 16 bytes long.
 Data: <P&#208; &#191;S           > 50 D0 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000253BF9DA030, 16 bytes long.
 Data: <(&#208; &#191;S           > 28 D0 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000253BF9D5600, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000253BF9D9EA0, 16 bytes long.
 Data: < &#208; &#191;S           > 00 D0 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000253BF9D5900, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000253BF9D9E50, 16 bytes long.
 Data: <H&#207; &#191;S           > 48 CF 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000253BF9D9D10, 16 bytes long.
 Data: < &#207; &#191;S           > 20 CF 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000253BF9D99F0, 16 bytes long.
 Data: < &#206; &#191;S           > F8 CE 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000253BF9D9860, 16 bytes long.
 Data: <&#208;&#206; &#191;S           > D0 CE 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000253BF9D94F0, 16 bytes long.
 Data: <&#168;&#206; &#191;S           > A8 CE 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000253BF9D9720, 16 bytes long.
 Data: < &#206; &#191;S           > 80 CE 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000253BF9D94A0, 16 bytes long.
 Data: < ~ &#191;S           > F0 7E 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000253BF9D7EF0, 40 bytes long.
 Data: <   &#191;S   P&#168;(&#195;S   > A0 94 9D BF 53 02 00 00 50 A8 28 C3 53 02 00 00 
{267} normal block at 0x00000253BF9D9310, 16 bytes long.
 Data: <`&#206; &#191;S           > 60 CE 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000253BF9D9E00, 16 bytes long.
 Data: <8&#206; &#191;S           > 38 CE 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000253BF9D5FC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000253BF9D9DB0, 16 bytes long.
 Data: < &#206; &#191;S           > 10 CE 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000253BF9DCE10, 992 bytes long.
 Data: <&#176;  &#191;S   &#192;_ &#191;S   > B0 9D 9D BF 53 02 00 00 C0 5F 9D BF 53 02 00 00 
{99} normal block at 0x00000253BF9D55A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000253BF9D9B30, 16 bytes long.
 Data: < { &#191;S           > 00 7B 9D BF 53 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000253BF9D7B00, 40 bytes long.
 Data: <0  &#191;S    U &#191;S   > 30 9B 9D BF 53 02 00 00 A0 55 9D BF 53 02 00 00 
{74} normal block at 0x00000253BF9DA170, 16 bytes long.
 Data: <  &#196;             > 80 EA C4 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000253BF9D9540, 16 bytes long.
 Data: <@ &#196;             > 40 E9 C4 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000253BF9D9810, 16 bytes long.
 Data: < W&#193;             > F8 57 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000253BF9DA0D0, 16 bytes long.
 Data: <&#216;W&#193;             > D8 57 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000253BF9D97C0, 16 bytes long.
 Data: <P &#193;             > 50 04 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000253BF9D9770, 16 bytes long.
 Data: <0 &#193;             > 30 04 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000253BF9CB880, 16 bytes long.
 Data: <  &#193;             > E0 02 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000253BF9CB790, 16 bytes long.
 Data: <  &#193;             > 10 04 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000253BF9CB740, 16 bytes long.
 Data: <p &#193;             > 70 04 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000253BF9CB6F0, 16 bytes long.
 Data: < &#192;&#191;             > 18 C0 BF 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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