Task 38677401

Name test_119-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND3550_0
Workunit 31619274
Created 26 Oct 2026, 14:15:21 UTC
Sent 26 Oct 2026, 14:15:24 UTC
Report deadline 31 Oct 2026, 14:15:24 UTC
Received 26 Oct 2026, 15:11:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550955
Run time 27 min 19 sec
CPU time 26 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,243.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.41 MB
Peak swap size 9.90 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:44:46 (6920): wrapper (7.9.26016): starting
15:44:46 (6920): 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
15:44:47 (6920): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:44:47 (6920): 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
16:11:14 (6920): C:/Windows/system32/cmd.exe exited; CPU time 1599.375000
16:11:14 (6920): 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: 20228257 bytes.
Dumping objects ->
{3835234} normal block at 0x0000017B215EF0E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000017B215EE510, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000017B215EE270, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x0000017B215EEDD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000017B1F8E6050, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x0000017B21636E10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x0000017B2164F7F0, 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) : {3835145} normal block at 0x0000017B1F8E0710, 8 bytes long.
 Data: <  &#208; {   > 00 00 D0 1F 7B 01 00 00 
{3834542} normal block at 0x0000017B2164F950, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000017B1F8E0760, 8 bytes long.
 Data: <&#176;@i!{   > B0 40 69 21 7B 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000017B1F8E2640, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000017B1F8D7590, 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 0x0000017B1F8E6810, 16 bytes long.
 Data: <&#232;v&#142; {           > E8 76 8E 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017B1F8E69F0, 16 bytes long.
 Data: <&#192;v&#142; {           > C0 76 8E 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017B1F8E1250, 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 0x0000017B1F8E7350, 16 bytes long.
 Data: < v&#142; {           > 98 76 8E 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017B1F8E7210, 16 bytes long.
 Data: <pv&#142; {           > 70 76 8E 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017B1F8E7080, 16 bytes long.
 Data: <Hv&#142; {           > 48 76 8E 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017B1F8E6E00, 16 bytes long.
 Data: < v&#142; {           > 20 76 8E 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017B1F8E5D40, 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 0x0000017B1F8E7260, 16 bytes long.
 Data: <(&#160;  {           > 28 A0 8D 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017B1F8E0E90, 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 0x0000017B1F8E6A90, 16 bytes long.
 Data: < &#160;  {           > 00 A0 8D 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017B1F8E64A0, 16 bytes long.
 Data: <&#216;&#159;  {           > D8 9F 8D 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017B1F8E6CC0, 16 bytes long.
 Data: <&#176;&#159;  {           > B0 9F 8D 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017B1F8E6C20, 16 bytes long.
 Data: < &#159;  {           > 88 9F 8D 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017B1F8E69A0, 16 bytes long.
 Data: <`&#159;  {           > 60 9F 8D 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017B1F8E67C0, 16 bytes long.
 Data: <8&#159;  {           > 38 9F 8D 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017B1F8E09B0, 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 0x0000017B1F8E6770, 16 bytes long.
 Data: < &#159;  {           > 10 9F 8D 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017B1F8D9F10, 320 bytes long.
 Data: <pg&#142; {   &#176;	&#142; {   > 70 67 8E 1F 7B 01 00 00 B0 09 8E 1F 7B 01 00 00 
{276} normal block at 0x0000017B1F8E6DB0, 16 bytes long.
 Data: < v&#142; {           > 00 76 8E 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017B1F8E6B30, 16 bytes long.
 Data: <&#216;u&#142; {           > D8 75 8E 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017B1F8E17F0, 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 0x0000017B1F8E6450, 16 bytes long.
 Data: <&#176;u&#142; {           > B0 75 8E 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017B1F8E1190, 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 0x0000017B1F8E6EF0, 16 bytes long.
 Data: <&#248;t&#142; {           > F8 74 8E 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017B1F8E7170, 16 bytes long.
 Data: <&#208;t&#142; {           > D0 74 8E 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017B1F8E6860, 16 bytes long.
 Data: <&#168;t&#142; {           > A8 74 8E 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017B1F8E6EA0, 16 bytes long.
 Data: < t&#142; {           > 80 74 8E 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017B1F8E6950, 16 bytes long.
 Data: <Xt&#142; {           > 58 74 8E 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017B1F8E68B0, 16 bytes long.
 Data: <0t&#142; {           > 30 74 8E 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017B1F8E71C0, 16 bytes long.
 Data: < [&#142; {           > 80 5B 8E 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017B1F8E5B80, 40 bytes long.
 Data: <&#192;q&#142; {    nc!{   > C0 71 8E 1F 7B 01 00 00 10 6E 63 21 7B 01 00 00 
{262} normal block at 0x0000017B1F8E6C70, 16 bytes long.
 Data: < t&#142; {           > 10 74 8E 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017B1F8E6900, 16 bytes long.
 Data: <&#232;s&#142; {           > E8 73 8E 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017B1F8E0C50, 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 0x0000017B1F8E6D60, 16 bytes long.
 Data: <&#192;s&#142; {           > C0 73 8E 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017B1F8E73C0, 992 bytes long.
 Data: <`m&#142; {   P &#142; {   > 60 6D 8E 1F 7B 01 00 00 50 0C 8E 1F 7B 01 00 00 
{94} normal block at 0x0000017B1F8E18B0, 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 0x0000017B1F8DFE00, 16 bytes long.
 Data: < _&#142; {           > 00 5F 8E 1F 7B 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000017B1F8E5F00, 40 bytes long.
 Data: < &#254;  {   &#176; &#142; {   > 00 FE 8D 1F 7B 01 00 00 B0 18 8E 1F 7B 01 00 00 
{71} normal block at 0x0000017B1F8E0800, 16 bytes long.
 Data: < &#234;9T&#246;           > 80 EA 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000017B1F8E0300, 16 bytes long.
 Data: <@&#233;9T&#246;           > 40 E9 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000017B1F8DFB80, 16 bytes long.
 Data: <&#248;W6T&#246;           > F8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017B1F8DFB30, 16 bytes long.
 Data: <&#216;W6T&#246;           > D8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017B1F8DFD60, 16 bytes long.
 Data: <P 6T&#246;           > 50 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017B1F8E0350, 16 bytes long.
 Data: <0 6T&#246;           > 30 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017B1F8DFAE0, 16 bytes long.
 Data: <&#224; 6T&#246;           > E0 02 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017B1F8DFE50, 16 bytes long.
 Data: <  6T&#246;           > 10 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017B1F8DFDB0, 16 bytes long.
 Data: <p 6T&#246;           > 70 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017B1F8E0490, 16 bytes long.
 Data: < &#192;4T&#246;           > 18 C0 34 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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