Task 38699299
| Name | test_606-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND3887_2 |
| Workunit | 31633110 |
| Created | 3 Nov 2026, 23:42:49 UTC |
| Sent | 3 Nov 2026, 23:42:54 UTC |
| Report deadline | 8 Nov 2026, 23:42:54 UTC |
| Received | 4 Nov 2026, 3:14:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654033 |
| Run time | 17 min 38 sec |
| CPU time | 15 min 43 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 35,485.23 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 737.73 MB |
| Peak swap size | 9.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:40:48 (53272): wrapper (7.9.26016): starting
09:40:48 (53272): 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
09:40:49 (53272): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:40:49 (53272): 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) : {3835220} normal block at 0x0000020C27C40080, 8 bytes long.
Data: < ' > 00 00 A5 27 0C 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834076} normal block at 0x0000020C29D4A700, 1080 bytes long.
Data: < > BC CF 00 00 CD CD CD CD 88 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000020C27C3EDF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:51:56 (44160): wrapper (7.9.26016): starting
09:51:56 (44160): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\0\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000001DB3A12CB20, 8 bytes long.
Data: < : > 00 00 08 3A DB 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001DB3A12D790, 1080 bytes long.
Data: < h > E4 D3 00 00 CD CD CD CD 68 01 00 00 00 00 00 00
Object dump complete.
09:57:55 (43808): wrapper (7.9.26016): starting
09:57:55 (43808): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\0\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x0000025E931FC080, 8 bytes long.
Data: < ^ > 00 00 17 93 5E 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000025E931FC9C0, 1080 bytes long.
Data: <l x > 6C AB 00 00 CD CD CD CD 78 01 00 00 00 00 00 00
Object dump complete.
10:06:47 (51604): wrapper (7.9.26016): starting
10:06:47 (51604): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\0\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000001FB3027C470, 8 bytes long.
Data: < 0 > 00 00 10 30 FB 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001FB3027D960, 1080 bytes long.
Data: < > C8 D5 00 00 CD CD CD CD 80 01 00 00 00 00 00 00
Object dump complete.
10:40:07 (47284): wrapper (7.9.26016): starting
10:40:07 (47284): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\0\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x0000020195ADBC80, 8 bytes long.
Data: < > 00 00 91 95 01 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000020195ADC9D0, 1080 bytes long.
Data: <t x > 74 0C 00 00 CD CD CD CD 78 01 00 00 00 00 00 00
Object dump complete.
11:03:06 (54508): wrapper (7.9.26016): starting
11:03:06 (54508): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\0\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000001AA06CBC0D0, 8 bytes long.
Data: < > 00 00 AA 06 AA 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001AA06CBCB70, 1080 bytes long.
Data: <$ t > 24 E4 00 00 CD CD CD CD 74 01 00 00 00 00 00 00
Object dump complete.
11:35:35 (58900): wrapper (7.9.26016): starting
11:35:35 (58900): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\0\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x0000012DB8E4D860, 8 bytes long.
Data: < - > 00 00 D3 B8 2D 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000012DB8E4E110, 1080 bytes long.
Data: <l L > 6C D1 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
12:08:59 (57800): wrapper (7.9.26016): starting
12:08:59 (57800): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\0\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
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
12:13:29 (57800): C:/Windows/system32/cmd.exe exited; CPU time 250.921875
12:13:29 (57800): 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: 7317934 bytes.
Dumping objects ->
{1542} normal block at 0x00000219C3519A20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1531} normal block at 0x00000219C3519BE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1520} normal block at 0x00000219C35199B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1509} normal block at 0x00000219C3519940, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1498} normal block at 0x00000219C35198D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1467} normal block at 0x00000219C351A3C0, 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) : {1454} normal block at 0x00000219C351A580, 8 bytes long.
Data: < ; > 00 00 3B C3 19 02 00 00
{311} normal block at 0x00000219C351ADA0, 8 bytes long.
Data: < Q > A0 BB 51 C3 19 02 00 00
{302} normal block at 0x00000219C34FFBD0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x00000219C351B250, 16 bytes long.
Data: < Q > A8 BA 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000219C351AD50, 16 bytes long.
Data: < Q > 80 BA 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000219C3515160, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x00000219C351A6C0, 16 bytes long.
Data: <X Q > 58 BA 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000219C351B160, 16 bytes long.
Data: <0 Q > 30 BA 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000219C351B070, 16 bytes long.
Data: < Q > 08 BA 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000219C351A710, 16 bytes long.
Data: < Q > E0 B9 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000219C35197F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x00000219C351AD00, 16 bytes long.
Data: <((Q > 28 28 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000219C35150A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x00000219C351AF30, 16 bytes long.
Data: < (Q > 00 28 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000219C351ACB0, 16 bytes long.
Data: < 'Q > D8 27 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000219C351B2A0, 16 bytes long.
Data: < 'Q > B0 27 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000219C351A800, 16 bytes long.
Data: < 'Q > 88 27 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000219C351AC60, 16 bytes long.
Data: <`'Q > 60 27 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000219C351B390, 16 bytes long.
Data: <8'Q > 38 27 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000219C3514F80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x00000219C351ABC0, 16 bytes long.
Data: < 'Q > 10 27 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000219C3512710, 320 bytes long.
Data: < Q OQ > C0 AB 51 C3 19 02 00 00 80 4F 51 C3 19 02 00 00
{281} normal block at 0x00000219C351B340, 16 bytes long.
Data: < Q > C0 B9 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000219C351A670, 16 bytes long.
Data: < Q > 98 B9 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000219C3514F20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x00000219C351AAD0, 16 bytes long.
Data: <p Q > 70 B9 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000219C3515100, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x00000219C351AB70, 16 bytes long.
Data: < Q > B8 B8 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000219C351B1B0, 16 bytes long.
Data: < Q > 90 B8 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000219C351B430, 16 bytes long.
Data: <h Q > 68 B8 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000219C351AA80, 16 bytes long.
Data: <@ Q > 40 B8 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000219C351A9E0, 16 bytes long.
Data: < Q > 18 B8 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000219C351B200, 16 bytes long.
Data: < Q > F0 B7 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000219C351A620, 16 bytes long.
Data: <` Q > 60 98 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000219C3519860, 40 bytes long.
Data: < Q Q > 20 A6 51 C3 19 02 00 00 C0 A3 51 C3 19 02 00 00
{267} normal block at 0x00000219C351A940, 16 bytes long.
Data: < Q > D0 B7 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000219C351A8F0, 16 bytes long.
Data: < Q > A8 B7 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000219C3514EC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x00000219C351AEE0, 16 bytes long.
Data: < Q > 80 B7 51 C3 19 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000219C351B780, 992 bytes long.
Data: < Q NQ > E0 AE 51 C3 19 02 00 00 C0 4E 51 C3 19 02 00 00
{99} normal block at 0x00000219C3515280, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x00000219C350DD30, 16 bytes long.
Data: < O > A0 BA 4F C3 19 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x00000219C34FBAA0, 40 bytes long.
Data: <0 P RQ > 30 DD 50 C3 19 02 00 00 80 52 51 C3 19 02 00 00
{74} normal block at 0x00000219C350E230, 16 bytes long.
Data: < + > 80 EA 2B 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000219C350E730, 16 bytes long.
Data: <@ + > 40 E9 2B 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000219C350DE70, 16 bytes long.
Data: < W( > F8 57 28 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000219C350E7D0, 16 bytes long.
Data: < W( > D8 57 28 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000219C350DE20, 16 bytes long.
Data: <P ( > 50 04 28 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000219C350E6E0, 16 bytes long.
Data: <0 ( > 30 04 28 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000219C350D920, 16 bytes long.
Data: < ( > E0 02 28 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000219C350DCE0, 16 bytes long.
Data: < ( > 10 04 28 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000219C350E0F0, 16 bytes long.
Data: <p ( > 70 04 28 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000219C350DF60, 16 bytes long.
Data: < & > 18 C0 26 1D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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