Task 38688463
| Name | test_222-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND9974_0 |
| Workunit | 31629814 |
| Created | 28 Oct 2026, 14:05:36 UTC |
| Sent | 28 Oct 2026, 14:05:39 UTC |
| Report deadline | 2 Nov 2026, 14:05:39 UTC |
| Received | 28 Oct 2026, 16:54:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648153 |
| Run time | 1 hours 9 min 20 sec |
| CPU time | 1 hours 9 min 20 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,741.16 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 696.90 MB |
| Peak swap size | 6.86 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
09:14:03 (54416): wrapper (7.9.26016): starting
09:14:03 (54416): 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
09:14:07 (54416): Library/usr/bin/tar.exe exited; CPU time 0.031250
09:14:07 (54416): 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) : {3835161} normal block at 0x000001FCBB7BB6F0, 8 bytes long.
Data: < > 00 00 C1 BB FC 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833976} normal block at 0x000001FCBD39E3A0, 1080 bytes long.
Data: < q > A8 71 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000001FCBB7C2200, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:26:45 (7964): wrapper (7.9.26016): starting
10:26:45 (7964): 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) : {1498} normal block at 0x00000192C6E78130, 8 bytes long.
Data: < 9 > 00 00 39 C7 92 01 00 00
..\lib\diagnostics_win.cpp(417) : {313} normal block at 0x00000192C6E77810, 1080 bytes long.
Data: < F X > 00 46 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
Object dump complete.
10:31:18 (34240): wrapper (7.9.26016): starting
10:31:18 (34240): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1498} normal block at 0x0000017D9DE57E50, 8 bytes long.
Data: < } > 00 00 DE 9D 7D 01 00 00
..\lib\diagnostics_win.cpp(417) : {313} normal block at 0x0000017D9DE56CB0, 1080 bytes long.
Data: < D > B4 C9 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
11:03:52 (28848): wrapper (7.9.26016): starting
11:03:52 (28848): 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
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1498} normal block at 0x00000239D0D19840, 8 bytes long.
Data: < 0 9 > 00 00 30 D1 39 02 00 00
..\lib\diagnostics_win.cpp(417) : {313} normal block at 0x00000239D0D18C20, 1080 bytes long.
Data: <(P D > 28 50 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
11:33:04 (17084): wrapper (7.9.26016): starting
11:33:04 (17084): 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) : {1498} normal block at 0x00000218F1F775E0, 8 bytes long.
Data: < : > 00 00 3A F2 18 02 00 00
..\lib\diagnostics_win.cpp(417) : {313} normal block at 0x00000218F1F76CB0, 1080 bytes long.
Data: <$ D > 24 CA 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
11:50:55 (4868): wrapper (7.9.26016): starting
11:50:55 (4868): 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
11:54:28 (4868): C:/Windows/system32/cmd.exe exited; CPU time 137.234375
11:54:28 (4868): 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: 6073970 bytes.
Dumping objects ->
{1586} normal block at 0x000001AA18745760, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1575} normal block at 0x000001AA187458B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1564} normal block at 0x000001AA187453E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1553} normal block at 0x000001AA18745840, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1542} normal block at 0x000001AA18745370, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1511} normal block at 0x000001AA187312A0, 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) : {1498} normal block at 0x000001AA18747B50, 8 bytes long.
Data: < > 00 00 BD 18 AA 01 00 00
{314} normal block at 0x000001AA18747E20, 8 bytes long.
Data: < t > A0 83 74 18 AA 01 00 00
{305} normal block at 0x000001AA18730110, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{304} normal block at 0x000001AA18747C40, 16 bytes long.
Data: < t > A8 82 74 18 AA 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001AA18747100, 16 bytes long.
Data: < t > 80 82 74 18 AA 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001AA1873FEF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{301} normal block at 0x000001AA18747790, 16 bytes long.
Data: <X t > 58 82 74 18 AA 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001AA18747BF0, 16 bytes long.
Data: <0 t > 30 82 74 18 AA 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001AA18747DD0, 16 bytes long.
Data: < t > 08 82 74 18 AA 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001AA18747970, 16 bytes long.
Data: < t > E0 81 74 18 AA 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001AA18745610, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{296} normal block at 0x000001AA18747F10, 16 bytes long.
Data: <H s > 48 A5 73 18 AA 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001AA1873FB90, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{294} normal block at 0x000001AA18747420, 16 bytes long.
Data: < s > 20 A5 73 18 AA 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001AA187476F0, 16 bytes long.
Data: < s > F8 A4 73 18 AA 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001AA18747880, 16 bytes long.
Data: < s > D0 A4 73 18 AA 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001AA18747BA0, 16 bytes long.
Data: < s > A8 A4 73 18 AA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001AA18747AB0, 16 bytes long.
Data: < s > 80 A4 73 18 AA 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001AA187473D0, 16 bytes long.
Data: <X s > 58 A4 73 18 AA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001AA187401F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{286} normal block at 0x000001AA18747380, 16 bytes long.
Data: <0 s > 30 A4 73 18 AA 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001AA1873A430, 320 bytes long.
Data: < st t > 80 73 74 18 AA 01 00 00 F0 01 74 18 AA 01 00 00
{284} normal block at 0x000001AA187471F0, 16 bytes long.
Data: < t > C0 81 74 18 AA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001AA187470B0, 16 bytes long.
Data: < t > 98 81 74 18 AA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001AA1873F7D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{281} normal block at 0x000001AA18747B00, 16 bytes long.
Data: <p t > 70 81 74 18 AA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001AA1873FC50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{279} normal block at 0x000001AA18747010, 16 bytes long.
Data: < t > B8 80 74 18 AA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001AA18747920, 16 bytes long.
Data: < t > 90 80 74 18 AA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001AA18747E70, 16 bytes long.
Data: <h t > 68 80 74 18 AA 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001AA18747740, 16 bytes long.
Data: <@ t > 40 80 74 18 AA 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001AA18747D80, 16 bytes long.
Data: < t > 18 80 74 18 AA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001AA18747330, 16 bytes long.
Data: < t > F0 7F 74 18 AA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001AA18747D30, 16 bytes long.
Data: <pZt > 70 5A 74 18 AA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001AA18745A70, 40 bytes long.
Data: <0}t s > 30 7D 74 18 AA 01 00 00 A0 12 73 18 AA 01 00 00
{270} normal block at 0x000001AA18747510, 16 bytes long.
Data: < t > D0 7F 74 18 AA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001AA18747A60, 16 bytes long.
Data: < t > A8 7F 74 18 AA 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001AA1873FB30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{267} normal block at 0x000001AA18747A10, 16 bytes long.
Data: < t > 80 7F 74 18 AA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001AA18747F80, 992 bytes long.
Data: < zt 0 s > 10 7A 74 18 AA 01 00 00 30 FB 73 18 AA 01 00 00
{102} normal block at 0x000001AA18740490, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{101} normal block at 0x000001AA1873C220, 16 bytes long.
Data: < Wt > D0 57 74 18 AA 01 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x000001AA187457D0, 40 bytes long.
Data: < s t > 20 C2 73 18 AA 01 00 00 90 04 74 18 AA 01 00 00
{79} normal block at 0x000001AA1873C270, 16 bytes long.
Data: < M > 80 EA 82 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000001AA1873C4F0, 16 bytes long.
Data: <@ M > 40 E9 82 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001AA1873BFA0, 16 bytes long.
Data: < W M > F8 57 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001AA1873BCD0, 16 bytes long.
Data: < W M > D8 57 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001AA1873B690, 16 bytes long.
Data: <P M > 50 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001AA1873B910, 16 bytes long.
Data: <0 M > 30 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001AA1873BA50, 16 bytes long.
Data: < M > E0 02 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001AA1873C5E0, 16 bytes long.
Data: < M > 10 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001AA1873BDC0, 16 bytes long.
Data: <p M > 70 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001AA1873BF50, 16 bytes long.
Data: < }M > 18 C0 7D 4D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra