Task 38681509

Name test_630-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND4712_0
Workunit 31623173
Created 27 Oct 2026, 4:16:33 UTC
Sent 27 Oct 2026, 4:16:38 UTC
Report deadline 1 Nov 2026, 4:16:38 UTC
Received 27 Oct 2026, 5:04:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631621
Run time 21 min 35 sec
CPU time 21 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,915.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.06 MB
Peak swap size 11.46 GB
Peak disk usage 3.43 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
23:41:41 (10892): wrapper (7.9.26016): starting
23:41:41 (10892): 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
23:41:43 (10892): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:41:43 (10892): 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\14\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\14\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
00:03:45 (10892): C:/Windows/system32/cmd.exe exited; CPU time 1291.453125
00:03:45 (10892): 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: 25748707 bytes.
Dumping objects ->
{3835207} normal block at 0x000002049722A0C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000020497229A30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x00000204972299C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835174} normal block at 0x0000020497229F00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x0000020497229FE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835132} normal block at 0x0000020498F2A360, 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) : {3835119} normal block at 0x00000204971FCDC0, 8 bytes long.
 Data: <  {&#151;    > 00 00 7B 97 04 02 00 00 
{3833961} normal block at 0x00000204971FC820, 8 bytes long.
 Data: <p&#227;&#232;     > 70 E3 E8 98 04 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000204971F5360, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000204971FD980, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000020497202E40, 16 bytes long.
 Data: < ? &#151;            > 88 3F 20 97 04 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000204972030C0, 16 bytes long.
 Data: <`? &#151;            > 60 3F 20 97 04 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000204971FEBA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000020497203700, 16 bytes long.
 Data: <8? &#151;            > 38 3F 20 97 04 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020497203660, 16 bytes long.
 Data: < ? &#151;            > 10 3F 20 97 04 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020497202990, 16 bytes long.
 Data: <&#232;> &#151;            > E8 3E 20 97 04 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000204972034D0, 16 bytes long.
 Data: <&#192;> &#151;            > C0 3E 20 97 04 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000204972013D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000020497202DA0, 16 bytes long.
 Data: < &#184; &#151;            > 08 B8 1E 97 04 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000204971FED80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000204972035C0, 16 bytes long.
 Data: <&#224;&#183; &#151;            > E0 B7 1E 97 04 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000204972032A0, 16 bytes long.
 Data: <&#184;&#183; &#151;            > B8 B7 1E 97 04 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020497202940, 16 bytes long.
 Data: < &#183; &#151;            > 90 B7 1E 97 04 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020497203200, 16 bytes long.
 Data: <h&#183; &#151;            > 68 B7 1E 97 04 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020497202C60, 16 bytes long.
 Data: <@&#183; &#151;            > 40 B7 1E 97 04 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020497202C10, 16 bytes long.
 Data: < &#183; &#151;            > 18 B7 1E 97 04 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000204971FE9C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000204972031B0, 16 bytes long.
 Data: <&#240;&#182; &#151;            > F0 B6 1E 97 04 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000204971EB6F0, 320 bytes long.
 Data: <&#176;1 &#151;    &#192;&#233; &#151;    > B0 31 20 97 04 02 00 00 C0 E9 1F 97 04 02 00 00 
{276} normal block at 0x0000020497202BC0, 16 bytes long.
 Data: <&#160;> &#151;            > A0 3E 20 97 04 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020497202B70, 16 bytes long.
 Data: <x> &#151;            > 78 3E 20 97 04 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000204971FE600, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000020497203480, 16 bytes long.
 Data: <P> &#151;            > 50 3E 20 97 04 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000204971FE4E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000020497203070, 16 bytes long.
 Data: < = &#151;            > 98 3D 20 97 04 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020497202DF0, 16 bytes long.
 Data: <p= &#151;            > 70 3D 20 97 04 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020497202B20, 16 bytes long.
 Data: <H= &#151;            > 48 3D 20 97 04 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020497202A80, 16 bytes long.
 Data: < = &#151;            > 20 3D 20 97 04 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020497202A30, 16 bytes long.
 Data: <&#248;< &#151;            > F8 3C 20 97 04 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000204972037A0, 16 bytes long.
 Data: <&#208;< &#151;            > D0 3C 20 97 04 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000204972029E0, 16 bytes long.
 Data: <`  &#151;            > 60 13 20 97 04 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020497201360, 40 bytes long.
 Data: <&#224;) &#151;    `&#163;&#242;     > E0 29 20 97 04 02 00 00 60 A3 F2 98 04 02 00 00 
{262} normal block at 0x0000020497203250, 16 bytes long.
 Data: <&#176;< &#151;            > B0 3C 20 97 04 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000204972036B0, 16 bytes long.
 Data: < < &#151;            > 88 3C 20 97 04 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000204971FE480, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000020497203160, 16 bytes long.
 Data: <`< &#151;            > 60 3C 20 97 04 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020497203C60, 992 bytes long.
 Data: <`1 &#151;     &#228; &#151;    > 60 31 20 97 04 02 00 00 80 E4 1F 97 04 02 00 00 
{94} normal block at 0x00000204971FE960, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000204971FC460, 16 bytes long.
 Data: <0  &#151;            > 30 11 20 97 04 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000020497201130, 40 bytes long.
 Data: <`&#196; &#151;    `&#233; &#151;    > 60 C4 1F 97 04 02 00 00 60 E9 1F 97 04 02 00 00 
{71} normal block at 0x00000204971FC140, 16 bytes long.
 Data: < &#234;L &#246;           > 80 EA 4C 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000204971FC7D0, 16 bytes long.
 Data: <@&#233;L &#246;           > 40 E9 4C 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000204971FC2D0, 16 bytes long.
 Data: <&#248;WI &#246;           > F8 57 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000204971FCD70, 16 bytes long.
 Data: <&#216;WI &#246;           > D8 57 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000204971FBF10, 16 bytes long.
 Data: <P I &#246;           > 50 04 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000204971FC910, 16 bytes long.
 Data: <0 I &#246;           > 30 04 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000204971FC0F0, 16 bytes long.
 Data: <&#224; I &#246;           > E0 02 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000204971FC280, 16 bytes long.
 Data: <  I &#246;           > 10 04 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000204971FCD20, 16 bytes long.
 Data: <p I &#246;           > 70 04 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000204971FC000, 16 bytes long.
 Data: < &#192;G &#246;           > 18 C0 47 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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