Task 38661257
| Name | test_139-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND1305_0 |
| Workunit | 31604685 |
| Created | 24 Oct 2026, 15:28:41 UTC |
| Sent | 24 Oct 2026, 15:38:12 UTC |
| Report deadline | 29 Oct 2026, 15:38:12 UTC |
| Received | 25 Oct 2026, 3:47:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643201 |
| Run time | 26 min 36 sec |
| CPU time | 26 min 36 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 23,192.10 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 726.40 MB |
| Peak swap size | 5.47 GB |
| Peak disk usage | 3.53 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
18:26:10 (24652): wrapper (7.9.26016): starting
18:26:10 (24652): 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
18:26:15 (24652): Library/usr/bin/tar.exe exited; CPU time 0.046875
18:26:15 (24652): 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.
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) : {3835168} normal block at 0x000002A05E88F9A0, 8 bytes long.
Data: < ^ > 00 00 CF 5E A0 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x000002A0605C46D0, 1080 bytes long.
Data: < > 90 83 00 00 CD CD CD CD FC 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002A05E886760, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:09:03 (12112): wrapper (7.9.26016): starting
19:09:03 (12112): 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
19:10:51 (12112): C:/Windows/system32/cmd.exe exited; CPU time 48.000000
19:10:51 (12112): 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: 1935272 bytes.
Dumping objects ->
{1603} normal block at 0x000002B14E1E43D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1592} normal block at 0x000002B14E1E4130, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1581} normal block at 0x000002B14E1E4280, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1570} normal block at 0x000002B14E1E40C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1559} normal block at 0x000002B14E1E3FE0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1528} normal block at 0x000002B14E1CB5A0, 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) : {1515} normal block at 0x000002B14E1E5010, 8 bytes long.
Data: < N > 00 00 19 4E B1 02 00 00
{304} normal block at 0x000002B14E1E5290, 8 bytes long.
Data: < ` N > F0 60 1E 4E B1 02 00 00
{295} normal block at 0x000002B14E1D7A10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000002B14E1E54C0, 16 bytes long.
Data: < _ N > F8 5F 1E 4E B1 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002B14E1E4ED0, 16 bytes long.
Data: < _ N > D0 5F 1E 4E B1 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002B14E1DFFC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000002B14E1E5060, 16 bytes long.
Data: < _ N > A8 5F 1E 4E B1 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002B14E1E4E30, 16 bytes long.
Data: < _ N > 80 5F 1E 4E B1 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002B14E1E4DE0, 16 bytes long.
Data: <X_ N > 58 5F 1E 4E B1 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002B14E1E57E0, 16 bytes long.
Data: <0_ N > 30 5F 1E 4E B1 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002B14E1E3E20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000002B14E1E4E80, 16 bytes long.
Data: <8 N > 38 B5 1C 4E B1 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002B14E1E0C80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000002B14E1E4D90, 16 bytes long.
Data: < N > 10 B5 1C 4E B1 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002B14E1E5880, 16 bytes long.
Data: < N > E8 B4 1C 4E B1 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002B14E1E51F0, 16 bytes long.
Data: < N > C0 B4 1C 4E B1 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002B14E1E55B0, 16 bytes long.
Data: < N > 98 B4 1C 4E B1 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002B14E1E5420, 16 bytes long.
Data: <p N > 70 B4 1C 4E B1 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002B14E1E53D0, 16 bytes long.
Data: <H N > 48 B4 1C 4E B1 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002B14E1E0080, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000002B14E1E4BB0, 16 bytes long.
Data: < N > 20 B4 1C 4E B1 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002B14E1CB420, 320 bytes long.
Data: < K N N > B0 4B 1E 4E B1 02 00 00 80 00 1E 4E B1 02 00 00
{274} normal block at 0x000002B14E1E5380, 16 bytes long.
Data: < _ N > 10 5F 1E 4E B1 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002B14E1E4CF0, 16 bytes long.
Data: < ^ N > E8 5E 1E 4E B1 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002B14E1E0B60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000002B14E1E5650, 16 bytes long.
Data: < ^ N > C0 5E 1E 4E B1 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002B14E1E0680, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000002B14E1E5790, 16 bytes long.
Data: < ^ N > 08 5E 1E 4E B1 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002B14E1E4D40, 16 bytes long.
Data: < ] N > E0 5D 1E 4E B1 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002B14E1E5920, 16 bytes long.
Data: < ] N > B8 5D 1E 4E B1 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002B14E1E5470, 16 bytes long.
Data: < ] N > 90 5D 1E 4E B1 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002B14E1E4C50, 16 bytes long.
Data: <h] N > 68 5D 1E 4E B1 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002B14E1E5330, 16 bytes long.
Data: <@] N > 40 5D 1E 4E B1 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002B14E1E5560, 16 bytes long.
Data: <P@ N > 50 40 1E 4E B1 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002B14E1E4050, 40 bytes long.
Data: <`U N N > 60 55 1E 4E B1 02 00 00 A0 B5 1C 4E B1 02 00 00
{260} normal block at 0x000002B14E1E52E0, 16 bytes long.
Data: < ] N > 20 5D 1E 4E B1 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002B14E1E5A10, 16 bytes long.
Data: < \ N > F8 5C 1E 4E B1 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002B14E1E0200, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000002B14E1E50B0, 16 bytes long.
Data: < \ N > D0 5C 1E 4E B1 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002B14E1E5CD0, 992 bytes long.
Data: < P N N > B0 50 1E 4E B1 02 00 00 00 02 1E 4E B1 02 00 00
{92} normal block at 0x000002B14E1E0C20, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000002B14E1DF7B0, 16 bytes long.
Data: < N > 80 E6 1C 4E B1 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002B14E1CE680, 40 bytes long.
Data: < N N > B0 F7 1D 4E B1 02 00 00 20 0C 1E 4E B1 02 00 00
{69} normal block at 0x000002B14E1DF5D0, 16 bytes long.
Data: < v > 80 EA 76 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002B14E1DFC10, 16 bytes long.
Data: <@ v > 40 E9 76 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002B14E1DEFE0, 16 bytes long.
Data: < Ws > F8 57 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002B14E1DFDF0, 16 bytes long.
Data: < Ws > D8 57 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002B14E1DF800, 16 bytes long.
Data: <P s > 50 04 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002B14E1DF670, 16 bytes long.
Data: <0 s > 30 04 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002B14E1DFBC0, 16 bytes long.
Data: < s > E0 02 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002B14E1DF1C0, 16 bytes long.
Data: < s > 10 04 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002B14E1DF0D0, 16 bytes long.
Data: <p s > 70 04 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002B14E1DF3A0, 16 bytes long.
Data: < q > 18 C0 71 AA F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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