Task 38687811

Name test_78-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND3388_0
Workunit 31629188
Created 28 Oct 2026, 9:54:33 UTC
Sent 28 Oct 2026, 9:54:39 UTC
Report deadline 2 Nov 2026, 9:54:39 UTC
Received 28 Oct 2026, 11:27:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648117
Run time 20 min 21 sec
CPU time 18 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,121.39 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 705.15 MB
Peak swap size 6.96 GB
Peak disk usage 3.78 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:06:46 (38420): wrapper (7.9.26016): starting
12:06:46 (38420): 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
12:06:47 (38420): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:06:47 (38420): 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 'E:\BOINC\data\slots\1\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 'E:\BOINC\data\slots\1\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
12:25:54 (38420): C:/Windows/system32/cmd.exe exited; CPU time 1115.484375
12:25:54 (38420): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 27493427 bytes.
Dumping objects ->
{3835311} normal block at 0x000001F55FCFF8F0, 48 bytes long.
 Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835300} normal block at 0x000001F5619F85F0, 32 bytes long.
 Data: <HOME=E:\BOINC\da> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835289} normal block at 0x000001F5619F7570, 32 bytes long.
 Data: <TMP=E:\BOINC\dat> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835278} normal block at 0x000001F5619F78D0, 32 bytes long.
 Data: <TEMP=E:\BOINC\da> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835267} normal block at 0x000001F5619F7F90, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835236} normal block at 0x000001F55FCFFE30, 48 bytes long.
 Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835225} normal block at 0x000001F5619C0990, 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) : {3835222} normal block at 0x000001F55FD0FE50, 8 bytes long.
 Data: <   `&#245;   > 00 00 10 60 F5 01 00 00 
{3834590} normal block at 0x000001F5619C0780, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833977} normal block at 0x000001F55FD10620, 8 bytes long.
 Data: <&#208;&#250;&#155;a&#245;   > D0 FA 9B 61 F5 01 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000001F55FD077F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001F55FD08C40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x000001F55FD17380, 16 bytes long.
 Data: <X&#130;&#209;_&#245;           > 58 82 D1 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001F55FD16FC0, 16 bytes long.
 Data: <0&#130;&#209;_&#245;           > 30 82 D1 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001F55FD125A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x000001F55FD171F0, 16 bytes long.
 Data: < &#130;&#209;_&#245;           > 08 82 D1 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001F55FD17920, 16 bytes long.
 Data: <&#224; &#209;_&#245;           > E0 81 D1 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001F55FD17E70, 16 bytes long.
 Data: <&#184; &#209;_&#245;           > B8 81 D1 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001F55FD174C0, 16 bytes long.
 Data: <  &#209;_&#245;           > 90 81 D1 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F55FD15B80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x000001F55FD178D0, 16 bytes long.
 Data: <&#248; &#208;_&#245;           > F8 11 D0 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F55FD11AC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x000001F55FD16F70, 16 bytes long.
 Data: <&#208; &#208;_&#245;           > D0 11 D0 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F55FD176F0, 16 bytes long.
 Data: <&#168; &#208;_&#245;           > A8 11 D0 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F55FD17880, 16 bytes long.
 Data: <  &#208;_&#245;           > 80 11 D0 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F55FD17560, 16 bytes long.
 Data: <X &#208;_&#245;           > 58 11 D0 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F55FD17330, 16 bytes long.
 Data: <0 &#208;_&#245;           > 30 11 D0 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F55FD172E0, 16 bytes long.
 Data: <  &#208;_&#245;           > 08 11 D0 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F55FD11A60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x000001F55FD17470, 16 bytes long.
 Data: <&#224; &#208;_&#245;           > E0 10 D0 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F55FD010E0, 320 bytes long.
 Data: <pt&#209;_&#245;   ` &#209;_&#245;   > 70 74 D1 5F F5 01 00 00 60 1A D1 5F F5 01 00 00 
{284} normal block at 0x000001F55FD17100, 16 bytes long.
 Data: <p &#209;_&#245;           > 70 81 D1 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F55FD17CE0, 16 bytes long.
 Data: <H &#209;_&#245;           > 48 81 D1 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F55FD11F40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x000001F55FD170B0, 16 bytes long.
 Data: <  &#209;_&#245;           > 20 81 D1 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F55FD124E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x000001F55FD17830, 16 bytes long.
 Data: <h &#209;_&#245;           > 68 80 D1 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F55FD176A0, 16 bytes long.
 Data: <@ &#209;_&#245;           > 40 80 D1 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F55FD17EC0, 16 bytes long.
 Data: <  &#209;_&#245;           > 18 80 D1 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F55FD17E20, 16 bytes long.
 Data: <&#240; &#209;_&#245;           > F0 7F D1 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F55FD17600, 16 bytes long.
 Data: <&#200; &#209;_&#245;           > C8 7F D1 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F55FD17D80, 16 bytes long.
 Data: <&#160; &#209;_&#245;           > A0 7F D1 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F55FD17740, 16 bytes long.
 Data: < [&#209;_&#245;           > 10 5B D1 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F55FD15B10, 40 bytes long.
 Data: <@w&#209;_&#245;   0&#254;&#207;_&#245;   > 40 77 D1 5F F5 01 00 00 30 FE CF 5F F5 01 00 00 
{270} normal block at 0x000001F55FD17790, 16 bytes long.
 Data: <  &#209;_&#245;           > 80 7F D1 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F55FD17B50, 16 bytes long.
 Data: <X &#209;_&#245;           > 58 7F D1 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F55FD12180, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x000001F55FD175B0, 16 bytes long.
 Data: <0 &#209;_&#245;           > 30 7F D1 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F55FD17F30, 992 bytes long.
 Data: <&#176;u&#209;_&#245;    !&#209;_&#245;   > B0 75 D1 5F F5 01 00 00 80 21 D1 5F F5 01 00 00 
{102} normal block at 0x000001F55FD11EE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x000001F55FD10350, 16 bytes long.
 Data: < W&#209;_&#245;           > 90 57 D1 5F F5 01 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x000001F55FD15790, 40 bytes long.
 Data: <P &#209;_&#245;   &#224; &#209;_&#245;   > 50 03 D1 5F F5 01 00 00 E0 1E D1 5F F5 01 00 00 
{79} normal block at 0x000001F55FD0FFE0, 16 bytes long.
 Data: < &#234;}d&#247;           > 80 EA 7D 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001F55FD0FEA0, 16 bytes long.
 Data: <@&#233;}d&#247;           > 40 E9 7D 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001F55FD10710, 16 bytes long.
 Data: <&#248;Wzd&#247;           > F8 57 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001F55FD10260, 16 bytes long.
 Data: <&#216;Wzd&#247;           > D8 57 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001F55FD10080, 16 bytes long.
 Data: <P zd&#247;           > 50 04 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001F55FD10210, 16 bytes long.
 Data: <0 zd&#247;           > 30 04 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001F55FD10170, 16 bytes long.
 Data: <&#224; zd&#247;           > E0 02 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001F55FD0FD60, 16 bytes long.
 Data: <  zd&#247;           > 10 04 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F55FD0F9A0, 16 bytes long.
 Data: <p zd&#247;           > 70 04 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F55FD106C0, 16 bytes long.
 Data: < &#192;xd&#247;           > 18 C0 78 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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