Task 38699522
| Name | test_659-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND6261_0 |
| Workunit | 31639915 |
| Created | 4 Nov 2026, 13:25:16 UTC |
| Sent | 4 Nov 2026, 13:25:21 UTC |
| Report deadline | 9 Nov 2026, 13:25:21 UTC |
| Received | 4 Nov 2026, 14:29:13 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654318 |
| Run time | 20 min 40 sec |
| CPU time | 17 min 10 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 44,749.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 704.13 MB |
| Peak swap size | 3.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:28:35 (5800): wrapper (7.9.26016): starting
05:28:35 (5800): 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
05:28:37 (5800): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:28:37 (5800): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835549} normal block at 0x0000022046CB0590, 8 bytes long.
Data: < !G > 00 00 21 47 20 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x00000220488E9740, 1080 bytes long.
Data: < _ p > 80 5F 00 00 CD CD CD CD 70 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000022046CACC90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
05:34:01 (2844): wrapper (7.9.26016): starting
05:34:01 (2844): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\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) : {1891} normal block at 0x00000273AFDF4820, 8 bytes long.
Data: < s > 00 00 DB AF 73 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x00000273AFDF55A0, 1080 bytes long.
Data: < O H > 80 4F 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
05:38:44 (22584): wrapper (7.9.26016): starting
05:38:44 (22584): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\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) : {1891} normal block at 0x0000015609B649F0, 8 bytes long.
Data: < V > 00 00 B1 09 56 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000015609B63A00, 1080 bytes long.
Data: <@J L > 40 4A 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
05:42:30 (8060): wrapper (7.9.26016): starting
05:42:30 (8060): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\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) : {1891} normal block at 0x0000022879484A60, 8 bytes long.
Data: < Ey( > 00 00 45 79 28 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000022879485930, 1080 bytes long.
Data: <T D > 54 08 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
05:47:32 (7548): wrapper (7.9.26016): starting
05:47:32 (7548): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\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) : {1891} normal block at 0x0000026D0DA44E80, 8 bytes long.
Data: < 3 m > 00 00 33 0F 6D 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000026D0DA43B40, 1080 bytes long.
Data: < @ > D8 12 00 00 CD CD CD CD 40 01 00 00 00 00 00 00
Object dump complete.
05:59:33 (24512): wrapper (7.9.26016): starting
05:59:33 (24512): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\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) : {1891} normal block at 0x00000216C3015EE0, 8 bytes long.
Data: < > 00 00 8E C4 16 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x00000216C3014E00, 1080 bytes long.
Data: < 2 @ > EC 32 00 00 CD CD CD CD 40 01 00 00 00 00 00 00
Object dump complete.
06:04:58 (2308): wrapper (7.9.26016): starting
06:04:58 (2308): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\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) : {1891} normal block at 0x0000027204B84DA0, 8 bytes long.
Data: < r > 00 00 00 05 72 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000027204B85580, 1080 bytes long.
Data: < @ > 14 07 00 00 CD CD CD CD 40 01 00 00 00 00 00 00
Object dump complete.
06:27:15 (29320): wrapper (7.9.26016): starting
06:27:15 (29320): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\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
06:28:41 (29320): C:/Windows/system32/cmd.exe exited; CPU time 54.265625
06:28:41 (29320): 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: 1692072 bytes.
Dumping objects ->
{1979} normal block at 0x000001B60974D580, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1968} normal block at 0x000001B60974D5F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1957} normal block at 0x000001B60974D430, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1946} normal block at 0x000001B60974D4A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1935} normal block at 0x000001B60974CF60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1904} normal block at 0x000001B609754120, 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) : {1891} normal block at 0x000001B609755060, 8 bytes long.
Data: < > 00 00 A9 09 B6 01 00 00
{309} normal block at 0x000001B609754E30, 8 bytes long.
Data: <@;u > 40 3B 75 09 B6 01 00 00
{300} normal block at 0x000001B609747450, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001B609755150, 16 bytes long.
Data: < Du > C8 44 75 09 B6 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001B609754B10, 16 bytes long.
Data: < Du > A0 44 75 09 B6 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001B60974EA50, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001B609755560, 16 bytes long.
Data: <xDu > 78 44 75 09 B6 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B6097552E0, 16 bytes long.
Data: <PDu > 50 44 75 09 B6 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B609754A20, 16 bytes long.
Data: <(Du > 28 44 75 09 B6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B609755290, 16 bytes long.
Data: < Du > 00 44 75 09 B6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B60974D3C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001B609755510, 16 bytes long.
Data: <( t > 28 E3 74 09 B6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B60974F2F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001B609755240, 16 bytes long.
Data: < t > 00 E3 74 09 B6 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B609754E80, 16 bytes long.
Data: < t > D8 E2 74 09 B6 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B609754A70, 16 bytes long.
Data: < t > B0 E2 74 09 B6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B6097554C0, 16 bytes long.
Data: < t > 88 E2 74 09 B6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B609754700, 16 bytes long.
Data: <` t > 60 E2 74 09 B6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B609754C50, 16 bytes long.
Data: <8 t > 38 E2 74 09 B6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B60974F110, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001B609755100, 16 bytes long.
Data: < t > 10 E2 74 09 B6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B60974E210, 320 bytes long.
Data: < Qu t > 00 51 75 09 B6 01 00 00 10 F1 74 09 B6 01 00 00
{279} normal block at 0x000001B609754660, 16 bytes long.
Data: < Cu > E0 43 75 09 B6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B609755470, 16 bytes long.
Data: < Cu > B8 43 75 09 B6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B60974E9F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001B609754DE0, 16 bytes long.
Data: < Cu > 90 43 75 09 B6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B60974EAB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001B6097549D0, 16 bytes long.
Data: < Bu > D8 42 75 09 B6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B609754980, 16 bytes long.
Data: < Bu > B0 42 75 09 B6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B609754930, 16 bytes long.
Data: < Bu > 88 42 75 09 B6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B609754D40, 16 bytes long.
Data: <`Bu > 60 42 75 09 B6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B609755330, 16 bytes long.
Data: <8Bu > 38 42 75 09 B6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B60974C040, 16 bytes long.
Data: < Bu > 10 42 75 09 B6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B60974C720, 16 bytes long.
Data: <P t > 50 D3 74 09 B6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B60974D350, 40 bytes long.
Data: < t Au > 20 C7 74 09 B6 01 00 00 20 41 75 09 B6 01 00 00
{265} normal block at 0x000001B60974CC20, 16 bytes long.
Data: < Au > F0 41 75 09 B6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B60974CBD0, 16 bytes long.
Data: < Au > C8 41 75 09 B6 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B60974F590, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001B60974CB80, 16 bytes long.
Data: < Au > A0 41 75 09 B6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B6097541A0, 992 bytes long.
Data: < t t > 80 CB 74 09 B6 01 00 00 90 F5 74 09 B6 01 00 00
{97} normal block at 0x000001B60974F290, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001B60974C9A0, 16 bytes long.
Data: <` t > 60 D6 74 09 B6 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001B60974D660, 40 bytes long.
Data: < t t > A0 C9 74 09 B6 01 00 00 90 F2 74 09 B6 01 00 00
{74} normal block at 0x000001B60974BFF0, 16 bytes long.
Data: < ] > 80 EA C3 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001B60974C8B0, 16 bytes long.
Data: <@ ] > 40 E9 C3 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001B60974C4F0, 16 bytes long.
Data: < W ] > F8 57 C0 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001B60974C450, 16 bytes long.
Data: < W ] > D8 57 C0 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B60974CA90, 16 bytes long.
Data: <P ] > 50 04 C0 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B60974C400, 16 bytes long.
Data: <0 ] > 30 04 C0 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B60974CD60, 16 bytes long.
Data: < ] > E0 02 C0 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B60974C860, 16 bytes long.
Data: < ] > 10 04 C0 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B60974C900, 16 bytes long.
Data: <p ] > 70 04 C0 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B60974CD10, 16 bytes long.
Data: < ] > 18 C0 BE 5D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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