Task 38688963

Name test_435-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND5744_0
Workunit 31630253
Created 28 Oct 2026, 17:15:49 UTC
Sent 28 Oct 2026, 17:15:53 UTC
Report deadline 2 Nov 2026, 17:15:53 UTC
Received 28 Oct 2026, 18:32:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 495923
Run time 19 min 8 sec
CPU time 18 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,792.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.03 MB
Peak swap size 9.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:13:50 (48252): wrapper (7.9.26016): starting
13:13:50 (48252): 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
13:13:51 (48252): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:13:51 (48252): 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\0\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\0\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
13:32:10 (48252): C:/Windows/system32/cmd.exe exited; CPU time 1092.750000
13:32:10 (48252): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 27965153 bytes.
Dumping objects ->
{3835236} normal block at 0x00000243D4D21410, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x00000243D4D20AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x00000243D4D20A70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x00000243D4D21640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x00000243D4D20C30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x00000243D4E66980, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x00000243D4E7F1A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835147} normal block at 0x00000243D30BDFB0, 8 bytes long.
 Data: <  g&#211;C   > 00 00 67 D3 43 02 00 00 
{3834547} normal block at 0x00000243D4E7F7D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x00000243D30BD920, 8 bytes long.
 Data: <0F&#239;&#212;C   > 30 46 EF D4 43 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000243D30C2480, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000243D30B30C0, 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 0x00000243D30C69E0, 16 bytes long.
 Data: < q &#211;C           > 88 71 0C D3 43 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000243D30C6B20, 16 bytes long.
 Data: <`q &#211;C           > 60 71 0C D3 43 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000243D30BFEA0, 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 0x00000243D30C6170, 16 bytes long.
 Data: <8q &#211;C           > 38 71 0C D3 43 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000243D30C6AD0, 16 bytes long.
 Data: < q &#211;C           > 10 71 0C D3 43 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000243D30C6670, 16 bytes long.
 Data: <&#232;p &#211;C           > E8 70 0C D3 43 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000243D30C6620, 16 bytes long.
 Data: <&#192;p &#211;C           > C0 70 0C D3 43 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000243D30C0960, 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 0x00000243D30C6D50, 16 bytes long.
 Data: < &#150; &#211;C           > 88 96 0B D3 43 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000243D30BFDE0, 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 0x00000243D30C6030, 16 bytes long.
 Data: <`&#150; &#211;C           > 60 96 0B D3 43 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000243D30C6D00, 16 bytes long.
 Data: <8&#150; &#211;C           > 38 96 0B D3 43 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000243D30C6A30, 16 bytes long.
 Data: < &#150; &#211;C           > 10 96 0B D3 43 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000243D30C5EA0, 16 bytes long.
 Data: <&#232;&#149; &#211;C           > E8 95 0B D3 43 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000243D30C65D0, 16 bytes long.
 Data: <&#192;&#149; &#211;C           > C0 95 0B D3 43 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000243D30C6DA0, 16 bytes long.
 Data: < &#149; &#211;C           > 98 95 0B D3 43 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000243D30BF9C0, 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 0x00000243D30C6CB0, 16 bytes long.
 Data: <p&#149; &#211;C           > 70 95 0B D3 43 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000243D30B9570, 320 bytes long.
 Data: <&#176;l &#211;C   &#192;&#249; &#211;C   > B0 6C 0C D3 43 02 00 00 C0 F9 0B D3 43 02 00 00 
{280} normal block at 0x00000243D30C6800, 16 bytes long.
 Data: <&#160;p &#211;C           > A0 70 0C D3 43 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000243D30C6DF0, 16 bytes long.
 Data: <xp &#211;C           > 78 70 0C D3 43 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000243D30C02C0, 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 0x00000243D30C6580, 16 bytes long.
 Data: <Pp &#211;C           > 50 70 0C D3 43 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000243D30C0260, 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 0x00000243D30C60D0, 16 bytes long.
 Data: < o &#211;C           > 98 6F 0C D3 43 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000243D30C6120, 16 bytes long.
 Data: <po &#211;C           > 70 6F 0C D3 43 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000243D30C5FE0, 16 bytes long.
 Data: <Ho &#211;C           > 48 6F 0C D3 43 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000243D30C6530, 16 bytes long.
 Data: < o &#211;C           > 20 6F 0C D3 43 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000243D30C62B0, 16 bytes long.
 Data: <&#248;n &#211;C           > F8 6E 0C D3 43 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000243D30C64E0, 16 bytes long.
 Data: <&#208;n &#211;C           > D0 6E 0C D3 43 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000243D30C6490, 16 bytes long.
 Data: <&#160;  &#211;C           > A0 07 0C D3 43 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000243D30C07A0, 40 bytes long.
 Data: < d &#211;C    i&#230;&#212;C   > 90 64 0C D3 43 02 00 00 80 69 E6 D4 43 02 00 00 
{266} normal block at 0x00000243D30C67B0, 16 bytes long.
 Data: <&#176;n &#211;C           > B0 6E 0C D3 43 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000243D30C61C0, 16 bytes long.
 Data: < n &#211;C           > 88 6E 0C D3 43 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000243D30BFE40, 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 0x00000243D30C6350, 16 bytes long.
 Data: <`n &#211;C           > 60 6E 0C D3 43 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000243D30C6E60, 992 bytes long.
 Data: <Pc &#211;C   @&#254; &#211;C   > 50 63 0C D3 43 02 00 00 40 FE 0B D3 43 02 00 00 
{98} normal block at 0x00000243D30C0140, 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 0x00000243D30BE5F0, 16 bytes long.
 Data: <   &#211;C           > 20 0B 0C D3 43 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000243D30C0B20, 40 bytes long.
 Data: <&#240;&#229; &#211;C   @  &#211;C   > F0 E5 0B D3 43 02 00 00 40 01 0C D3 43 02 00 00 
{75} normal block at 0x00000243D30BDB50, 16 bytes long.
 Data: < &#234;&#162;&#229;&#246;           > 80 EA A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000243D30BE280, 16 bytes long.
 Data: <@&#233;&#162;&#229;&#246;           > 40 E9 A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000243D30BE410, 16 bytes long.
 Data: <&#248;W&#159;&#229;&#246;           > F8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000243D30BDE20, 16 bytes long.
 Data: <&#216;W&#159;&#229;&#246;           > D8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000243D30BDA10, 16 bytes long.
 Data: <P &#159;&#229;&#246;           > 50 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000243D30BE3C0, 16 bytes long.
 Data: <0 &#159;&#229;&#246;           > 30 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000243D30BDD30, 16 bytes long.
 Data: <&#224; &#159;&#229;&#246;           > E0 02 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000243D30BDD80, 16 bytes long.
 Data: <  &#159;&#229;&#246;           > 10 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000243D30BD9C0, 16 bytes long.
 Data: <p &#159;&#229;&#246;           > 70 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000243D30BE500, 16 bytes long.
 Data: < &#192; &#229;&#246;           > 18 C0 9D E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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