Task 38647643

Name test_530-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND4624_0
Workunit 31592370
Created 23 Oct 2026, 20:16:06 UTC
Sent 23 Oct 2026, 20:41:17 UTC
Report deadline 28 Oct 2026, 20:41:17 UTC
Received 24 Oct 2026, 0:44:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654379
Run time 42 min 24 sec
CPU time 42 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 33,165.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 628.39 MB
Peak swap size 13.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:01:58 (10216): wrapper (7.9.26016): starting
17:01:58 (10216): 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
17:01:59 (10216): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:01:59 (10216): 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
17:43:11 (10216): C:/Windows/system32/cmd.exe exited; CPU time 2544.046875
17:43:11 (10216): 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: 65108205 bytes.
Dumping objects ->
{3835262} normal block at 0x00000217F577D480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x00000217F577D330, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x00000217F577D560, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x00000217F577D100, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x00000217F577DBF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x00000217F5720470, 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) : {3835174} normal block at 0x00000217F39C1100, 8 bytes long.
 Data: <  &#235;&#243;    > 00 00 EB F3 17 02 00 00 
{3833969} normal block at 0x00000217F39C10B0, 8 bytes long.
 Data: <&#208;t|&#245;    > D0 74 7C F5 17 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000217F39C93F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000217F39B8160, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000217F39C72B0, 16 bytes long.
 Data: <H &#156;&#243;            > 48 0C 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000217F39C7120, 16 bytes long.
 Data: <  &#156;&#243;            > 20 0C 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000217F39C2CA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000217F39C6F40, 16 bytes long.
 Data: <&#248; &#156;&#243;            > F8 0B 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000217F39C7170, 16 bytes long.
 Data: <&#208; &#156;&#243;            > D0 0B 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000217F39C7490, 16 bytes long.
 Data: <&#168; &#156;&#243;            > A8 0B 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000217F39C69A0, 16 bytes long.
 Data: <  &#156;&#243;            > 80 0B 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000217F39C56A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000217F39C71C0, 16 bytes long.
 Data: <X &#156;&#243;            > 58 0E 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000217F39C28E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000217F39C6E00, 16 bytes long.
 Data: <0 &#156;&#243;            > 30 0E 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000217F39C6C20, 16 bytes long.
 Data: <  &#156;&#243;            > 08 0E 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000217F39C7300, 16 bytes long.
 Data: <&#224; &#156;&#243;            > E0 0D 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000217F39C6950, 16 bytes long.
 Data: <&#184; &#156;&#243;            > B8 0D 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000217F39C7080, 16 bytes long.
 Data: <  &#156;&#243;            > 90 0D 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000217F39C75D0, 16 bytes long.
 Data: <h &#156;&#243;            > 68 0D 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000217F39C2760, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000217F39C6A90, 16 bytes long.
 Data: <@ &#156;&#243;            > 40 0D 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000217F39C0D40, 320 bytes long.
 Data: < j&#156;&#243;    `'&#156;&#243;    > 90 6A 9C F3 17 02 00 00 60 27 9C F3 17 02 00 00 
{280} normal block at 0x00000217F39C7440, 16 bytes long.
 Data: <` &#156;&#243;            > 60 0B 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000217F39C7210, 16 bytes long.
 Data: <8 &#156;&#243;            > 38 0B 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000217F39C2B80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000217F39C7580, 16 bytes long.
 Data: <  &#156;&#243;            > 10 0B 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000217F39C23A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000217F39C6BD0, 16 bytes long.
 Data: <X &#156;&#243;            > 58 0A 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000217F39C6B80, 16 bytes long.
 Data: <0 &#156;&#243;            > 30 0A 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000217F39C6900, 16 bytes long.
 Data: <  &#156;&#243;            > 08 0A 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000217F39C68B0, 16 bytes long.
 Data: <&#224;	&#156;&#243;            > E0 09 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000217F39C6D10, 16 bytes long.
 Data: <&#184;	&#156;&#243;            > B8 09 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000217F39C70D0, 16 bytes long.
 Data: < 	&#156;&#243;            > 90 09 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000217F39C7710, 16 bytes long.
 Data: <0V&#156;&#243;            > 30 56 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000217F39C5630, 40 bytes long.
 Data: < w&#156;&#243;    p r&#245;    > 10 77 9C F3 17 02 00 00 70 04 72 F5 17 02 00 00 
{266} normal block at 0x00000217F39C6CC0, 16 bytes long.
 Data: <p	&#156;&#243;            > 70 09 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000217F39C6860, 16 bytes long.
 Data: <H	&#156;&#243;            > 48 09 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000217F39C2AC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000217F39C74E0, 16 bytes long.
 Data: < 	&#156;&#243;            > 20 09 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000217F39C0920, 992 bytes long.
 Data: <&#224;t&#156;&#243;    &#192;*&#156;&#243;    > E0 74 9C F3 17 02 00 00 C0 2A 9C F3 17 02 00 00 
{98} normal block at 0x00000217F39C2880, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000217F39C1E70, 16 bytes long.
 Data: <PU&#156;&#243;            > 50 55 9C F3 17 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000217F39C5550, 40 bytes long.
 Data: <p &#156;&#243;     (&#156;&#243;    > 70 1E 9C F3 17 02 00 00 80 28 9C F3 17 02 00 00 
{75} normal block at 0x00000217F39C1510, 16 bytes long.
 Data: < &#234;] &#247;           > 80 EA 5D 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000217F39C1880, 16 bytes long.
 Data: <@&#233;] &#247;           > 40 E9 5D 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000217F39C1650, 16 bytes long.
 Data: <&#248;WZ &#247;           > F8 57 5A 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000217F39C1600, 16 bytes long.
 Data: <&#216;WZ &#247;           > D8 57 5A 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000217F39C0F70, 16 bytes long.
 Data: <P Z &#247;           > 50 04 5A 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000217F39C11A0, 16 bytes long.
 Data: <0 Z &#247;           > 30 04 5A 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000217F39C12E0, 16 bytes long.
 Data: <&#224; Z &#247;           > E0 02 5A 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000217F39C1DD0, 16 bytes long.
 Data: <  Z &#247;           > 10 04 5A 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000217F39C1830, 16 bytes long.
 Data: <p Z &#247;           > 70 04 5A 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000217F39C1790, 16 bytes long.
 Data: < &#192;X &#247;           > 18 C0 58 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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