Task 38688092
| Name | test_668-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND9757_0 |
| Workunit | 31629461 |
| Created | 28 Oct 2026, 11:36:15 UTC |
| Sent | 28 Oct 2026, 11:36:21 UTC |
| Report deadline | 2 Nov 2026, 11:36:21 UTC |
| Received | 28 Oct 2026, 15:18:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 617663 |
| Run time | 27 min 29 sec |
| CPU time | 25 min 29 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 | 703.47 MB |
| Peak swap size | 6.85 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
09:04:34 (18412): wrapper (7.9.26016): starting
09:04:34 (18412): 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
09:04:35 (18412): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:04:35 (18412): 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) : {3835110} normal block at 0x000001BBD14A0800, 8 bytes long.
Data: < B > 00 00 42 D1 BB 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x000001BBD14A6980, 1080 bytes long.
Data: < > 90 1E 00 00 CD CD CD CD F4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001BBD1497E30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:37:15 (34840): wrapper (7.9.26016): starting
09:37:15 (34840): 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) : {1454} normal block at 0x000001DF41BC6610, 8 bytes long.
Data: < B > 00 00 0B 42 DF 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000001DF41BC58C0, 1080 bytes long.
Data: <d > 64 20 00 00 CD CD CD CD B8 00 00 00 00 00 00 00
Object dump complete.
09:50:22 (32116): wrapper (7.9.26016): starting
09:50:22 (32116): 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) : {1454} normal block at 0x0000024F2D4871A0, 8 bytes long.
Data: < -O > 00 00 89 2D 4F 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x0000024F2D4858C0, 1080 bytes long.
Data: < C P > 10 43 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
09:56:19 (22388): wrapper (7.9.26016): starting
09:56:19 (22388): 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) : {1454} normal block at 0x0000026426486B60, 8 bytes long.
Data: < &d > 00 00 9A 26 64 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x00000264264858C0, 1080 bytes long.
Data: <\\ P > 5C 5C 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
10:02:32 (16804): wrapper (7.9.26016): starting
10:02:32 (16804): 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) : {1454} normal block at 0x00000220ACD66490, 8 bytes long.
Data: < $ > 00 00 24 AD 20 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x00000220ACD657E0, 1080 bytes long.
Data: < { H > 20 7B 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
10:07:40 (2444): wrapper (7.9.26016): starting
10:07:40 (2444): 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
10:18:18 (2444): C:/Windows/system32/cmd.exe exited; CPU time 582.890625
10:18:18 (2444): 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: 11799702 bytes.
Dumping objects ->
{1542} normal block at 0x0000018968F61A80, 48 bytes long.
Data: <PATH=F:\ProgramD> 50 41 54 48 3D 46 3A 5C 50 72 6F 67 72 61 6D 44
{1531} normal block at 0x0000018968F61BD0, 48 bytes long.
Data: <HOME=F:\ProgramD> 48 4F 4D 45 3D 46 3A 5C 50 72 6F 67 72 61 6D 44
{1520} normal block at 0x0000018968F61E70, 48 bytes long.
Data: <TMP=F:\ProgramDa> 54 4D 50 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 61
{1509} normal block at 0x0000018968F62110, 48 bytes long.
Data: <TEMP=F:\ProgramD> 54 45 4D 50 3D 46 3A 5C 50 72 6F 67 72 61 6D 44
{1498} normal block at 0x0000018968F61A10, 48 bytes long.
Data: <TMPDIR=F:\Progra> 54 4D 50 44 49 52 3D 46 3A 5C 50 72 6F 67 72 61
{1467} normal block at 0x0000018968F503E0, 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) : {1454} normal block at 0x0000018968F66DE0, 8 bytes long.
Data: < h > 00 00 F1 68 89 01 00 00
{307} normal block at 0x0000018968F67150, 8 bytes long.
Data: < X h > C0 58 F6 68 89 01 00 00
{298} normal block at 0x0000018968F58400, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000018968F67060, 16 bytes long.
Data: < a h > F8 61 F6 68 89 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000018968F667F0, 16 bytes long.
Data: < a h > D0 61 F6 68 89 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000018968F61540, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000018968F66520, 16 bytes long.
Data: < a h > A8 61 F6 68 89 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000018968F667A0, 16 bytes long.
Data: < a h > 80 61 F6 68 89 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000018968F66BB0, 16 bytes long.
Data: <Xa h > 58 61 F6 68 89 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000018968F66660, 16 bytes long.
Data: <0a h > 30 61 F6 68 89 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000018968F620A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000018968F67100, 16 bytes long.
Data: < h > 18 CF F4 68 89 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000018968F60B80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000018968F66ED0, 16 bytes long.
Data: < h > F0 CE F4 68 89 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000018968F66FC0, 16 bytes long.
Data: < h > C8 CE F4 68 89 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000018968F670B0, 16 bytes long.
Data: < h > A0 CE F4 68 89 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000018968F67010, 16 bytes long.
Data: <x h > 78 CE F4 68 89 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000018968F66B10, 16 bytes long.
Data: <P h > 50 CE F4 68 89 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000018968F66890, 16 bytes long.
Data: <( h > 28 CE F4 68 89 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000018968F60CA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000018968F66390, 16 bytes long.
Data: < h > 00 CE F4 68 89 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000018968F4CE00, 320 bytes long.
Data: < c h h > 90 63 F6 68 89 01 00 00 A0 0C F6 68 89 01 00 00
{277} normal block at 0x0000018968F66F70, 16 bytes long.
Data: < a h > 10 61 F6 68 89 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000018968F666B0, 16 bytes long.
Data: < ` h > E8 60 F6 68 89 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000018968F61900, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000018968F66340, 16 bytes long.
Data: < ` h > C0 60 F6 68 89 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000018968F61660, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000018968F66480, 16 bytes long.
Data: < ` h > 08 60 F6 68 89 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000018968F66E30, 16 bytes long.
Data: < _ h > E0 5F F6 68 89 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000018968F66750, 16 bytes long.
Data: < _ h > B8 5F F6 68 89 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000018968F66F20, 16 bytes long.
Data: < _ h > 90 5F F6 68 89 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000018968F66700, 16 bytes long.
Data: <h_ h > 68 5F F6 68 89 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000018968F5ED70, 16 bytes long.
Data: <@_ h > 40 5F F6 68 89 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000018968F5EBE0, 16 bytes long.
Data: < h > 90 1D F6 68 89 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000018968F61D90, 40 bytes long.
Data: < h h > E0 EB F5 68 89 01 00 00 E0 03 F5 68 89 01 00 00
{263} normal block at 0x0000018968F5F7C0, 16 bytes long.
Data: < _ h > 20 5F F6 68 89 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000018968F5F0E0, 16 bytes long.
Data: < ^ h > F8 5E F6 68 89 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000018968F60E80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000018968F5F680, 16 bytes long.
Data: < ^ h > D0 5E F6 68 89 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000018968F65ED0, 992 bytes long.
Data: < h h > 80 F6 F5 68 89 01 00 00 80 0E F6 68 89 01 00 00
{95} normal block at 0x0000018968F60DC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000018968F5EE60, 16 bytes long.
Data: <P h > 50 1F F6 68 89 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000018968F61F50, 40 bytes long.
Data: <` h h > 60 EE F5 68 89 01 00 00 C0 0D F6 68 89 01 00 00
{72} normal block at 0x0000018968F5F360, 16 bytes long.
Data: < _ > 80 EA 84 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000018968F5F090, 16 bytes long.
Data: <@ _ > 40 E9 84 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000018968F5F720, 16 bytes long.
Data: < W _ > F8 57 81 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000018968F5E870, 16 bytes long.
Data: < W _ > D8 57 81 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000018968F5E9B0, 16 bytes long.
Data: <P _ > 50 04 81 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000018968F5EEB0, 16 bytes long.
Data: <0 _ > 30 04 81 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000018968F5EE10, 16 bytes long.
Data: < _ > E0 02 81 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000018968F5E8C0, 16 bytes long.
Data: < _ > 10 04 81 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000018968F5F270, 16 bytes long.
Data: <p _ > 70 04 81 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000018968F5EB90, 16 bytes long.
Data: < _ > 18 C0 7F 5F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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