Task 38665523
| Name | test_634-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND3367_0 |
| Workunit | 31608616 |
| Created | 25 Oct 2026, 1:09:41 UTC |
| Sent | 25 Oct 2026, 1:21:40 UTC |
| Report deadline | 30 Oct 2026, 1:21:40 UTC |
| Received | 27 Oct 2026, 9:30:55 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 611806 |
| Run time | 8 hours 14 min 21 sec |
| CPU time | 7 hours 38 min 3 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 5,030.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 698.37 MB |
| Peak swap size | 5.22 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:05:35 (10200): wrapper (7.9.26016): starting
17:05:35 (10200): 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
17:05:37 (10200): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:05:37 (10200): 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\1\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\1\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) : {3835140} normal block at 0x00000171025EDDD0, 8 bytes long.
Data: < q > 00 00 90 02 71 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x00000171025DDA30, 1080 bytes long.
Data: <| 4 > 7C 1C 00 00 CD CD CD CD 34 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000171025F1590, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
23:06:54 (8400): wrapper (7.9.26016): starting
23:06:54 (8400): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x00000158C4B864D0, 8 bytes long.
Data: < X > 00 00 B4 C4 58 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x00000158C4B86F50, 1080 bytes long.
Data: < = > E0 3D 00 00 CD CD CD CD B8 00 00 00 00 00 00 00
Object dump complete.
00:38:14 (30904): wrapper (7.9.26016): starting
00:38:14 (30904): 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\1\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
04:30:27 (30904): C:/Windows/system32/cmd.exe exited; CPU time 12533.500000
04:30:27 (30904): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 191097802 bytes.
Dumping objects ->
{1573} normal block at 0x000001BBC51654A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1562} normal block at 0x000001BBC5165040, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1551} normal block at 0x000001BBC5164FD0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1540} normal block at 0x000001BBC5165510, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1529} normal block at 0x000001BBC5165430, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1498} normal block at 0x000001BBC514D590, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1487} normal block at 0x000001BBC514B830, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1484} normal block at 0x000001BBC51662F0, 8 bytes long.
Data: < > 00 00 12 C5 BB 01 00 00
{885} normal block at 0x000001BBC514E7C0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{307} normal block at 0x000001BBC51666B0, 8 bytes long.
Data: <Po > 50 6F 16 C5 BB 01 00 00
{298} normal block at 0x000001BBC5156770, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001BBC5166890, 16 bytes long.
Data: <Xn > 58 6E 16 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001BBC5166AC0, 16 bytes long.
Data: <0n > 30 6E 16 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001BBC5160750, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001BBC5166570, 16 bytes long.
Data: < n > 08 6E 16 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001BBC5166840, 16 bytes long.
Data: < m > E0 6D 16 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BBC5166430, 16 bytes long.
Data: < m > B8 6D 16 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BBC5165EE0, 16 bytes long.
Data: < m > 90 6D 16 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BBC51655F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001BBC5165E90, 16 bytes long.
Data: < > B8 93 15 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BBC5160930, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001BBC5165E40, 16 bytes long.
Data: < > 90 93 15 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001BBC5166660, 16 bytes long.
Data: <h > 68 93 15 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BBC51667F0, 16 bytes long.
Data: <@ > 40 93 15 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BBC5166700, 16 bytes long.
Data: < > 18 93 15 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BBC5165DF0, 16 bytes long.
Data: < > F0 92 15 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BBC5166520, 16 bytes long.
Data: < > C8 92 15 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BBC51603F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001BBC5166610, 16 bytes long.
Data: < > A0 92 15 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BBC51592A0, 320 bytes long.
Data: < f > 10 66 16 C5 BB 01 00 00 F0 03 16 C5 BB 01 00 00
{277} normal block at 0x000001BBC51663E0, 16 bytes long.
Data: <pm > 70 6D 16 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BBC5165CB0, 16 bytes long.
Data: <Hm > 48 6D 16 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BBC5160270, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001BBC51660C0, 16 bytes long.
Data: < m > 20 6D 16 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BBC5160030, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001BBC5165C60, 16 bytes long.
Data: <hl > 68 6C 16 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BBC51668E0, 16 bytes long.
Data: <@l > 40 6C 16 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BBC51664D0, 16 bytes long.
Data: < l > 18 6C 16 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BBC51665C0, 16 bytes long.
Data: < k > F0 6B 16 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BBC5166A20, 16 bytes long.
Data: < k > C8 6B 16 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BBC5166390, 16 bytes long.
Data: < k > A0 6B 16 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BBC5165D00, 16 bytes long.
Data: <PS > 50 53 16 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BBC5165350, 40 bytes long.
Data: < ] > 00 5D 16 C5 BB 01 00 00 90 D5 14 C5 BB 01 00 00
{263} normal block at 0x000001BBC51662A0, 16 bytes long.
Data: < k > 80 6B 16 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BBC5166480, 16 bytes long.
Data: <Xk > 58 6B 16 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BBC5160B10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001BBC5165D50, 16 bytes long.
Data: <0k > 30 6B 16 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001BBC5166B30, 992 bytes long.
Data: <P] > 50 5D 16 C5 BB 01 00 00 10 0B 16 C5 BB 01 00 00
{95} normal block at 0x000001BBC5160630, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001BBC515FE80, 16 bytes long.
Data: <` > 60 DF 14 C5 BB 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001BBC514DF60, 40 bytes long.
Data: < 0 > 80 FE 15 C5 BB 01 00 00 30 06 16 C5 BB 01 00 00
{72} normal block at 0x000001BBC515F9D0, 16 bytes long.
Data: < T > 80 EA 54 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001BBC515FED0, 16 bytes long.
Data: <@ T > 40 E9 54 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001BBC515FAC0, 16 bytes long.
Data: < WQ > F8 57 51 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001BBC515F0C0, 16 bytes long.
Data: < WQ > D8 57 51 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001BBC515FCA0, 16 bytes long.
Data: <P Q > 50 04 51 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BBC515F840, 16 bytes long.
Data: <0 Q > 30 04 51 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BBC515FD90, 16 bytes long.
Data: < Q > E0 02 51 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BBC515FBB0, 16 bytes long.
Data: < Q > 10 04 51 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BBC515F2F0, 16 bytes long.
Data: <p Q > 70 04 51 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BBC515F660, 16 bytes long.
Data: < O > 18 C0 4F E5 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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