Task 38648103

Name test_958-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND5163_0
Workunit 31592820
Created 23 Oct 2026, 20:30:53 UTC
Sent 23 Oct 2026, 21:52:33 UTC
Report deadline 28 Oct 2026, 21:52:33 UTC
Received 23 Oct 2026, 22:19:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642350
Run time 23 min 51 sec
CPU time 22 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,408.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.46 MB
Peak swap size 9.87 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:56:41 (346256): wrapper (7.9.26016): starting
16:56:41 (346256): 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
16:56:42 (346256): Library/usr/bin/tar.exe exited; CPU time 0.046875
16:56:42 (346256): 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
17:19:15 (346256): C:/Windows/system32/cmd.exe exited; CPU time 1324.875000
17:19:15 (346256): 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: 29761167 bytes.
Dumping objects ->
{3835248} normal block at 0x000001931735E570, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x000001931735E9D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000001931735EC00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x000001931735EA40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x000001931735F140, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x000001931735C080, 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) : {3835160} normal block at 0x000001931557B770, 8 bytes long.
 Data: <  R &#147;   > 00 00 52 15 93 01 00 00 
{3833959} normal block at 0x000001931557B130, 8 bytes long.
 Data: <&#160;&#206;5 &#147;   > A0 CE 35 17 93 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001931555B120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001931555CCC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001931557B680, 16 bytes long.
 Data: <HjW &#147;           > 48 6A 57 15 93 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001931557B5E0, 16 bytes long.
 Data: < jW &#147;           > 20 6A 57 15 93 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001931557C220, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001931557AEB0, 16 bytes long.
 Data: <&#248;iW &#147;           > F8 69 57 15 93 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001931557AD20, 16 bytes long.
 Data: <&#208;iW &#147;           > D0 69 57 15 93 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001931557ACD0, 16 bytes long.
 Data: <&#168;iW &#147;           > A8 69 57 15 93 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001931557BC20, 16 bytes long.
 Data: < iW &#147;           > 80 69 57 15 93 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001931557E1A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001931557B040, 16 bytes long.
 Data: <&#232;&#229;T &#147;           > E8 E5 54 15 93 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001931557CAC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001931557B1D0, 16 bytes long.
 Data: <&#192;&#229;T &#147;           > C0 E5 54 15 93 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001931557BAE0, 16 bytes long.
 Data: < &#229;T &#147;           > 98 E5 54 15 93 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001931557B8B0, 16 bytes long.
 Data: <p&#229;T &#147;           > 70 E5 54 15 93 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001931557BA90, 16 bytes long.
 Data: <H&#229;T &#147;           > 48 E5 54 15 93 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001931557B590, 16 bytes long.
 Data: < &#229;T &#147;           > 20 E5 54 15 93 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001931557B0E0, 16 bytes long.
 Data: <&#248;&#228;T &#147;           > F8 E4 54 15 93 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001931557BE60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001931557AFA0, 16 bytes long.
 Data: <&#208;&#228;T &#147;           > D0 E4 54 15 93 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001931554E4D0, 320 bytes long.
 Data: <&#160;&#175;W &#147;   `&#190;W &#147;   > A0 AF 57 15 93 01 00 00 60 BE 57 15 93 01 00 00 
{275} normal block at 0x000001931557B720, 16 bytes long.
 Data: <`iW &#147;           > 60 69 57 15 93 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001931557B4F0, 16 bytes long.
 Data: <8iW &#147;           > 38 69 57 15 93 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001931557C1C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001931557B810, 16 bytes long.
 Data: < iW &#147;           > 10 69 57 15 93 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001931557C640, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001931557B4A0, 16 bytes long.
 Data: <XhW &#147;           > 58 68 57 15 93 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001931557B900, 16 bytes long.
 Data: <0hW &#147;           > 30 68 57 15 93 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001931557BA40, 16 bytes long.
 Data: < hW &#147;           > 08 68 57 15 93 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001931557B450, 16 bytes long.
 Data: <&#224;gW &#147;           > E0 67 57 15 93 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001931557AE60, 16 bytes long.
 Data: <&#184;gW &#147;           > B8 67 57 15 93 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001931557ADC0, 16 bytes long.
 Data: < gW &#147;           > 90 67 57 15 93 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001931557B310, 16 bytes long.
 Data: <P&#231;W &#147;           > 50 E7 57 15 93 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001931557E750, 40 bytes long.
 Data: < &#179;W &#147;    &#192;5 &#147;   > 10 B3 57 15 93 01 00 00 80 C0 35 17 93 01 00 00 
{261} normal block at 0x000001931557B6D0, 16 bytes long.
 Data: <pgW &#147;           > 70 67 57 15 93 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001931557B9F0, 16 bytes long.
 Data: <HgW &#147;           > 48 67 57 15 93 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000193155636E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001931557AF50, 16 bytes long.
 Data: < gW &#147;           > 20 67 57 15 93 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000019315576720, 992 bytes long.
 Data: <P&#175;W &#147;   &#224;6V &#147;   > 50 AF 57 15 93 01 00 00 E0 36 56 15 93 01 00 00 
{93} normal block at 0x00000193155637A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000193155691C0, 16 bytes long.
 Data: <0&#225;W &#147;           > 30 E1 57 15 93 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001931557E130, 40 bytes long.
 Data: <&#192;&#145;V &#147;   &#160;7V &#147;   > C0 91 56 15 93 01 00 00 A0 37 56 15 93 01 00 00 
{70} normal block at 0x00000193155690D0, 16 bytes long.
 Data: < &#234;&#255;&#154;&#246;           > 80 EA FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019315568F40, 16 bytes long.
 Data: <@&#233;&#255;&#154;&#246;           > 40 E9 FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019315568EF0, 16 bytes long.
 Data: <&#248;W&#252;&#154;&#246;           > F8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019315569030, 16 bytes long.
 Data: <&#216;W&#252;&#154;&#246;           > D8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019315569C60, 16 bytes long.
 Data: <P &#252;&#154;&#246;           > 50 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019315569CB0, 16 bytes long.
 Data: <0 &#252;&#154;&#246;           > 30 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019315569530, 16 bytes long.
 Data: <&#224; &#252;&#154;&#246;           > E0 02 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000193155692B0, 16 bytes long.
 Data: <  &#252;&#154;&#246;           > 10 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019315568EA0, 16 bytes long.
 Data: <p &#252;&#154;&#246;           > 70 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000019315568E50, 16 bytes long.
 Data: < &#192;&#250;&#154;&#246;           > 18 C0 FA 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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