Task 38680348

Name	test_101-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND7693_0
Workunit	31622072
Created	26 Oct 2026, 23:39:28 UTC
Sent	26 Oct 2026, 23:39:32 UTC
Report deadline	31 Oct 2026, 23:39:32 UTC
Received	27 Oct 2026, 2:24:17 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	617663
Run time	25 min 27 sec
CPU time	24 min 17 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	15,394.34 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	690.69 MB
Peak swap size	6.84 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
18:40:20 (33696): wrapper (7.9.26016): starting
18:40:20 (33696): 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
18:40:21 (33696): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:40:21 (33696): 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 'F:\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 'F:\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835106} normal block at 0x0000023B6FD1F2C0, 8 bytes long.
 Data: <   o;   > 00 00 CC 6F 3B 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x0000023B71AB4440, 1080 bytes long.
 Data: <\F      x       > 5C 46 00 00 CD CD CD CD 78 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000023B6FD172A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
18:50:38 (22096): wrapper (7.9.26016): starting
18:50:38 (22096): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1452} normal block at 0x000002274ACE6EA0, 8 bytes long.
 Data: <   J'   > 00 00 CA 4A 27 02 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002274ACE7690, 1080 bytes long.
 Data: < |      H       > D8 7C 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
18:55:46 (2320): wrapper (7.9.26016): starting
18:55:46 (2320): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1452} normal block at 0x0000025756876FE0, 8 bytes long.
 Data: <   VW   > 00 00 84 56 57 02 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000025756877690, 1080 bytes long.
 Data: <        H       > FC 89 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
19:38:12 (27284): wrapper (7.9.26016): starting
19:38:12 (27284): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1452} normal block at 0x000002C9E9636C30, 8 bytes long.
 Data: <        > 00 00 12 EB C9 02 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002C9E9637560, 1080 bytes long.
 Data: <0       ,       > 30 10 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00 
Object dump complete.
19:50:36 (28880): wrapper (7.9.26016): starting
19:50:36 (28880): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1452} normal block at 0x0000025007456DB0, 8 bytes long.
 Data: <    P   > 00 00 83 07 50 02 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000025007457690, 1080 bytes long.
 Data: < 2      D       > C0 32 00 00 CD CD CD CD 44 01 00 00 00 00 00 00 
Object dump complete.
21:03:06 (27984): wrapper (7.9.26016): starting
21:03:06 (27984): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1452} normal block at 0x00000217CCC36970, 8 bytes long.
 Data: <        > 00 00 C0 CC 17 02 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000217CCC370C0, 1080 bytes long.
 Data: <        L       > 88 87 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
21:08:14 (35652): wrapper (7.9.26016): starting
21:08:14 (35652): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\ProgramData\BOINC\slots\0\tmp already exists.
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
21:23:49 (35652): C:/Windows/system32/cmd.exe exited; CPU time 872.875000
21:23:49 (35652): 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: 19342090 bytes.
Dumping objects ->
{1540} normal block at 0x000002470BA45750, 48 bytes long.
 Data: <PATH=F:\ProgramD> 50 41 54 48 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
{1529} normal block at 0x000002470BA454B0, 48 bytes long.
 Data: <HOME=F:\ProgramD> 48 4F 4D 45 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
{1518} normal block at 0x000002470BA450C0, 48 bytes long.
 Data: <TMP=F:\ProgramDa> 54 4D 50 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1507} normal block at 0x000002470BA453D0, 48 bytes long.
 Data: <TEMP=F:\ProgramD> 54 45 4D 50 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
{1496} normal block at 0x000002470BA45440, 48 bytes long.
 Data: <TMPDIR=F:\Progra> 54 4D 50 44 49 52 3D 46 3A 5C 50 72 6F 67 72 61 
{1465} normal block at 0x000002470BA31190, 64 bytes long.
 Data: <PATH=F:\ProgramD> 50 41 54 48 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {1452} normal block at 0x000002470BA46C10, 8 bytes long.
 Data: <    G   > 00 00 DA 0B 47 02 00 00 
{305} normal block at 0x000002470BA46A30, 8 bytes long.
 Data: <@p  G   > 40 70 A4 0B 47 02 00 00 
{296} normal block at 0x000002470BA2FE60, 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 0x000002470BA46BC0, 16 bytes long.
 Data: <8_  G           > 38 5F A4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002470BA46E40, 16 bytes long.
 Data: < _  G           > 10 5F A4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002470BA41280, 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 0x000002470BA462B0, 16 bytes long.
 Data: < ^  G           > E8 5E A4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002470BA469E0, 16 bytes long.
 Data: < ^  G           > C0 5E A4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002470BA46490, 16 bytes long.
 Data: < ^  G           > 98 5E A4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002470BA46260, 16 bytes long.
 Data: <p^  G           > 70 5E A4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002470BA45360, 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 0x000002470BA46EE0, 16 bytes long.
 Data: <h   G           > 68 CE A2 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002470BA406E0, 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 0x000002470BA468A0, 16 bytes long.
 Data: <@   G           > 40 CE A2 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002470BA46F80, 16 bytes long.
 Data: <    G           > 18 CE A2 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002470BA46B20, 16 bytes long.
 Data: <    G           > F0 CD A2 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002470BA46990, 16 bytes long.
 Data: <    G           > C8 CD A2 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002470BA46440, 16 bytes long.
 Data: <    G           > A0 CD A2 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002470BA46940, 16 bytes long.
 Data: <x   G           > 78 CD A2 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002470BA41040, 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 0x000002470BA468F0, 16 bytes long.
 Data: <P   G           > 50 CD A2 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002470BA2CD50, 320 bytes long.
 Data: < h  G   @   G   > F0 68 A4 0B 47 02 00 00 40 10 A4 0B 47 02 00 00 
{275} normal block at 0x000002470BA46800, 16 bytes long.
 Data: <P^  G           > 50 5E A4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002470BA46E90, 16 bytes long.
 Data: <(^  G           > 28 5E A4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002470BA40740, 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 0x000002470BA463F0, 16 bytes long.
 Data: < ^  G           > 00 5E A4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002470BA40D40, 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 0x000002470BA46C60, 16 bytes long.
 Data: <H]  G           > 48 5D A4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002470BA46170, 16 bytes long.
 Data: < ]  G           > 20 5D A4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002470BA465D0, 16 bytes long.
 Data: < \  G           > F8 5C A4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002470BA46B70, 16 bytes long.
 Data: < \  G           > D0 5C A4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002470BA461C0, 16 bytes long.
 Data: < \  G           > A8 5C A4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002470BA3F4E0, 16 bytes long.
 Data: < \  G           > 80 5C A4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002470BA3F300, 16 bytes long.
 Data: <PP  G           > 50 50 A4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002470BA45050, 40 bytes long.
 Data: <    G       G   > 00 F3 A3 0B 47 02 00 00 90 11 A3 0B 47 02 00 00 
{261} normal block at 0x000002470BA3EE00, 16 bytes long.
 Data: <`\  G           > 60 5C A4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002470BA3E810, 16 bytes long.
 Data: <8\  G           > 38 5C A4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002470BA40980, 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 0x000002470BA3F3A0, 16 bytes long.
 Data: < \  G           > 10 5C A4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002470BA45C10, 992 bytes long.
 Data: <    G       G   > A0 F3 A3 0B 47 02 00 00 80 09 A4 0B 47 02 00 00 
{93} normal block at 0x000002470BA40A40, 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 0x000002470BA3E680, 16 bytes long.
 Data: < U  G           > 20 55 A4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002470BA45520, 40 bytes long.
 Data: <    G   @   G   > 80 E6 A3 0B 47 02 00 00 40 0A A4 0B 47 02 00 00 
{70} normal block at 0x000002470BA3EB80, 16 bytes long.
 Data: <  nz            > 80 EA 6E 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002470BA3F030, 16 bytes long.
 Data: <@ nz            > 40 E9 6E 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002470BA3EB30, 16 bytes long.
 Data: < Wkz            > F8 57 6B 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002470BA3F210, 16 bytes long.
 Data: < Wkz            > D8 57 6B 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002470BA3EF40, 16 bytes long.
 Data: <P kz            > 50 04 6B 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002470BA3E630, 16 bytes long.
 Data: <0 kz            > 30 04 6B 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002470BA3E720, 16 bytes long.
 Data: <  kz            > E0 02 6B 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002470BA3F080, 16 bytes long.
 Data: <  kz            > 10 04 6B 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002470BA3E9F0, 16 bytes long.
 Data: <p kz            > 70 04 6B 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002470BA3F350, 16 bytes long.
 Data: <  iz            > 18 C0 69 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>