Task 38664180
| Name | test_820-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND8330_0 |
| Workunit | 31607353 |
| Created | 24 Oct 2026, 23:18:33 UTC |
| Sent | 24 Oct 2026, 23:19:06 UTC |
| Report deadline | 29 Oct 2026, 23:19:06 UTC |
| Received | 25 Oct 2026, 20:40:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654491 |
| Run time | 2 hours 10 min 46 sec |
| CPU time | 2 hours 0 min 14 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,377.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 728.87 MB |
| Peak swap size | 6.94 GB |
| Peak disk usage | 3.11 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:49:33 (21584): wrapper (7.9.26016): starting
08:49:33 (21584): 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
08:49:37 (21584): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:49:38 (21584): 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\2\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\2\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) : {3835522} normal block at 0x0000023E6A3AE760, 8 bytes long.
Data: < 7j> > 00 00 37 6A 3E 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834082} normal block at 0x0000023E6C475460, 1080 bytes long.
Data: <h{ > 68 7B 00 00 CD CD CD CD 94 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000023E6A3B25A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:36:31 (26108): wrapper (7.9.26016): starting
11:36:31 (26108): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ÇÏÀ§ µð·ºÅ͸® ¶Ç´Â ÆÄÀÏ C:\ProgramData\BOINC\slots\2\tmpÀÌ(°¡) ÀÌ¹Ì ÀÖ½À´Ï´Ù.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1751} normal block at 0x000002A8CC236E50, 8 bytes long.
Data: < > 00 00 20 CC A8 02 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000002A8CC237A10, 1080 bytes long.
Data: < - P > 90 2D 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
23:16:57 (35952): wrapper (7.9.26016): starting
23:16:57 (35952): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ÇÏÀ§ µð·ºÅ͸® ¶Ç´Â ÆÄÀÏ C:\ProgramData\BOINC\slots\2\tmpÀÌ(°¡) ÀÌ¹Ì ÀÖ½À´Ï´Ù.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1751} normal block at 0x0000026E4F948510, 8 bytes long.
Data: < On > 00 00 DE 4F 6E 02 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000026E4F948CC0, 1080 bytes long.
Data: <$P P > 24 50 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
00:05:08 (496): wrapper (7.9.26016): starting
00:05:08 (496): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ÇÏÀ§ µð·ºÅ͸® ¶Ç´Â ÆÄÀÏ C:\ProgramData\BOINC\slots\2\tmpÀÌ(°¡) ÀÌ¹Ì ÀÖ½À´Ï´Ù.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1751} normal block at 0x000001C2A50668B0, 8 bytes long.
Data: < a > 00 00 61 A5 C2 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000001C2A5067A10, 1080 bytes long.
Data: < | \ > 9C 7C 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
04:55:33 (6560): wrapper (7.9.26016): starting
04:55:33 (6560): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ÇÏÀ§ µð·ºÅ͸® ¶Ç´Â ÆÄÀÏ C:\ProgramData\BOINC\slots\2\tmpÀÌ(°¡) ÀÌ¹Ì ÀÖ½À´Ï´Ù.
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
05:39:22 (6560): C:/Windows/system32/cmd.exe exited; CPU time 2407.375000
05:39:22 (6560): 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: 54625898 bytes.
Dumping objects ->
{1839} normal block at 0x00000207F7D755E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1828} normal block at 0x00000207F7D75650, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1817} normal block at 0x00000207F7D75500, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1806} normal block at 0x00000207F7D75570, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1795} normal block at 0x00000207F7D75490, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1764} normal block at 0x00000207F7D5F230, 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) : {1751} normal block at 0x00000207F7D76170, 8 bytes long.
Data: < % > 00 00 25 F8 07 02 00 00
{312} normal block at 0x00000207F7D76E40, 8 bytes long.
Data: <`t > 60 74 D7 F7 07 02 00 00
{303} normal block at 0x00000207F7D66B50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x00000207F7D76FD0, 16 bytes long.
Data: <hs > 68 73 D7 F7 07 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000207F7D76DF0, 16 bytes long.
Data: <@s > 40 73 D7 F7 07 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000207F7D70070, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x00000207F7D76D50, 16 bytes long.
Data: < s > 18 73 D7 F7 07 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000207F7D76210, 16 bytes long.
Data: < r > F0 72 D7 F7 07 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000207F7D76990, 16 bytes long.
Data: < r > C8 72 D7 F7 07 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000207F7D765D0, 16 bytes long.
Data: < r > A0 72 D7 F7 07 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000207F7D75420, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x00000207F7D762B0, 16 bytes long.
Data: < > F8 BC D5 F7 07 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000207F7D70670, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x00000207F7D76F30, 16 bytes long.
Data: < > D0 BC D5 F7 07 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000207F7D76120, 16 bytes long.
Data: < > A8 BC D5 F7 07 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000207F7D768F0, 16 bytes long.
Data: < > 80 BC D5 F7 07 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000207F7D76B20, 16 bytes long.
Data: <X > 58 BC D5 F7 07 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000207F7D768A0, 16 bytes long.
Data: <0 > 30 BC D5 F7 07 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000207F7D76BC0, 16 bytes long.
Data: < > 08 BC D5 F7 07 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000207F7D70610, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x00000207F7D764E0, 16 bytes long.
Data: < > E0 BB D5 F7 07 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000207F7D5BBE0, 320 bytes long.
Data: < d > E0 64 D7 F7 07 02 00 00 10 06 D7 F7 07 02 00 00
{282} normal block at 0x00000207F7D76800, 16 bytes long.
Data: < r > 80 72 D7 F7 07 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000207F7D767B0, 16 bytes long.
Data: <Xr > 58 72 D7 F7 07 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000207F7D6FEF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x00000207F7D766C0, 16 bytes long.
Data: <0r > 30 72 D7 F7 07 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000207F7D703D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x00000207F7D76DA0, 16 bytes long.
Data: <xq > 78 71 D7 F7 07 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000207F7D760D0, 16 bytes long.
Data: <Pq > 50 71 D7 F7 07 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000207F7D76440, 16 bytes long.
Data: <(q > 28 71 D7 F7 07 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000207F7D76490, 16 bytes long.
Data: < q > 00 71 D7 F7 07 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000207F7D76E90, 16 bytes long.
Data: < p > D8 70 D7 F7 07 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000207F7D76850, 16 bytes long.
Data: < p > B0 70 D7 F7 07 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000207F7D76C10, 16 bytes long.
Data: <`Y > 60 59 D7 F7 07 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000207F7D75960, 40 bytes long.
Data: < l 0 > 10 6C D7 F7 07 02 00 00 30 F2 D5 F7 07 02 00 00
{268} normal block at 0x00000207F7D76940, 16 bytes long.
Data: < p > 90 70 D7 F7 07 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000207F7D769E0, 16 bytes long.
Data: <hp > 68 70 D7 F7 07 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000207F7D6FFB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x00000207F7D76760, 16 bytes long.
Data: <@p > 40 70 D7 F7 07 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000207F7D77040, 992 bytes long.
Data: <`g > 60 67 D7 F7 07 02 00 00 B0 FF D6 F7 07 02 00 00
{100} normal block at 0x00000207F7D6FC50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x00000207F7D6E860, 16 bytes long.
Data: < S > B0 53 D7 F7 07 02 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x00000207F7D753B0, 40 bytes long.
Data: <` P > 60 E8 D6 F7 07 02 00 00 50 FC D6 F7 07 02 00 00
{75} normal block at 0x00000207F7D6E4A0, 16 bytes long.
Data: < p > 80 EA DF 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000207F7D6E040, 16 bytes long.
Data: <@ p > 40 E9 DF 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000207F7D6EAE0, 16 bytes long.
Data: < W p > F8 57 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000207F7D6DF50, 16 bytes long.
Data: < W p > D8 57 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000207F7D6ED10, 16 bytes long.
Data: <P p > 50 04 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000207F7D6E540, 16 bytes long.
Data: <0 p > 30 04 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000207F7D6EA90, 16 bytes long.
Data: < p > E0 02 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000207F7D6E9F0, 16 bytes long.
Data: < p > 10 04 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000207F7D6E270, 16 bytes long.
Data: <p p > 70 04 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000207F7D6E4F0, 16 bytes long.
Data: < p > 18 C0 DA 70 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra