Task 38665206
| Name | test_175-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND5121_0 |
| Workunit | 31608324 |
| Created | 25 Oct 2026, 0:50:34 UTC |
| Sent | 25 Oct 2026, 1:04:51 UTC |
| Report deadline | 30 Oct 2026, 1:04:51 UTC |
| Received | 25 Oct 2026, 13:25:55 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654728 |
| Run time | 49 min 41 sec |
| CPU time | 45 min 36 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,255.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 679.09 MB |
| Peak swap size | 3.82 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:15:05 (13160): wrapper (7.9.26016): starting
20:15:05 (13160): 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
20:15:06 (13160): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:15:06 (13160): 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) : {3835188} normal block at 0x0000021BE8E7F990, 8 bytes long.
Data: < > 00 00 1D E9 1B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x0000021BEAA648D0, 1080 bytes long.
Data: < / L > B4 2F 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000021BE8E81030, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
07:57:53 (13652): wrapper (7.9.26016): starting
07:57:53 (13652): 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
08:25:16 (13652): C:/Windows/system32/cmd.exe exited; CPU time 1540.250000
08:25:16 (13652): 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: 21254958 bytes.
Dumping objects ->
{1623} normal block at 0x000002D5979B5D70, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1612} normal block at 0x000002D5979B5D00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1601} normal block at 0x000002D5979B5C90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1590} normal block at 0x000002D5979B5980, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1579} normal block at 0x000002D5979B5830, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1548} normal block at 0x000002D59799B560, 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) : {1535} normal block at 0x000002D5979B7290, 8 bytes long.
Data: < > 00 00 E4 97 D5 02 00 00
{304} normal block at 0x000002D5979B69D0, 8 bytes long.
Data: < u > D0 75 9B 97 D5 02 00 00
{295} normal block at 0x000002D5979A6800, 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 0x000002D5979B7240, 16 bytes long.
Data: < d > C8 64 9B 97 D5 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002D5979B6980, 16 bytes long.
Data: < d > A0 64 9B 97 D5 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002D5979AEF60, 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 0x000002D5979B6DE0, 16 bytes long.
Data: <xd > 78 64 9B 97 D5 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002D5979B6750, 16 bytes long.
Data: <Pd > 50 64 9B 97 D5 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002D5979B6700, 16 bytes long.
Data: <(d > 28 64 9B 97 D5 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002D5979B71F0, 16 bytes long.
Data: < d > 00 64 9B 97 D5 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002D5979B5C20, 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 0x000002D5979B71A0, 16 bytes long.
Data: < > A8 8E 9A 97 D5 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002D5979AEF00, 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 0x000002D5979B6930, 16 bytes long.
Data: < > 80 8E 9A 97 D5 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002D5979B67F0, 16 bytes long.
Data: <X > 58 8E 9A 97 D5 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002D5979B6D40, 16 bytes long.
Data: <0 > 30 8E 9A 97 D5 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002D5979B6E30, 16 bytes long.
Data: < > 08 8E 9A 97 D5 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002D5979B6A20, 16 bytes long.
Data: < > E0 8D 9A 97 D5 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002D5979B6890, 16 bytes long.
Data: < > B8 8D 9A 97 D5 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002D5979AF140, 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 0x000002D5979B7150, 16 bytes long.
Data: < > 90 8D 9A 97 D5 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002D5979A8D90, 320 bytes long.
Data: <Pq @ > 50 71 9B 97 D5 02 00 00 40 F1 9A 97 D5 02 00 00
{274} normal block at 0x000002D5979B68E0, 16 bytes long.
Data: < c > E0 63 9B 97 D5 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002D5979B70B0, 16 bytes long.
Data: < c > B8 63 9B 97 D5 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002D5979AEC60, 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 0x000002D5979B66B0, 16 bytes long.
Data: < c > 90 63 9B 97 D5 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002D5979AE600, 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 0x000002D5979B7010, 16 bytes long.
Data: < b > D8 62 9B 97 D5 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002D5979B6ED0, 16 bytes long.
Data: < b > B0 62 9B 97 D5 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002D5979B7100, 16 bytes long.
Data: < b > 88 62 9B 97 D5 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002D5979B7060, 16 bytes long.
Data: <`b > 60 62 9B 97 D5 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002D5979AFA90, 16 bytes long.
Data: <8b > 38 62 9B 97 D5 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002D5979B01C0, 16 bytes long.
Data: < b > 10 62 9B 97 D5 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002D5979AFA40, 16 bytes long.
Data: <P^ > 50 5E 9B 97 D5 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002D5979B5E50, 40 bytes long.
Data: <@ ` > 40 FA 9A 97 D5 02 00 00 60 B5 99 97 D5 02 00 00
{260} normal block at 0x000002D5979AFEF0, 16 bytes long.
Data: < a > F0 61 9B 97 D5 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002D5979AF950, 16 bytes long.
Data: < a > C8 61 9B 97 D5 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002D5979AED20, 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 0x000002D5979AF8B0, 16 bytes long.
Data: < a > A0 61 9B 97 D5 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002D5979B61A0, 992 bytes long.
Data: < > B0 F8 9A 97 D5 02 00 00 20 ED 9A 97 D5 02 00 00
{92} normal block at 0x000002D5979AF200, 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 0x000002D5979AF900, 16 bytes long.
Data: < > F0 EE 99 97 D5 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002D59799EEF0, 40 bytes long.
Data: < > 00 F9 9A 97 D5 02 00 00 00 F2 9A 97 D5 02 00 00
{69} normal block at 0x000002D5979AFDB0, 16 bytes long.
Data: < z > 80 EA 19 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002D5979B0030, 16 bytes long.
Data: <@ z > 40 E9 19 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002D5979AFF40, 16 bytes long.
Data: < W z > F8 57 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002D5979AF540, 16 bytes long.
Data: < W z > D8 57 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002D5979AFAE0, 16 bytes long.
Data: <P z > 50 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002D5979B0120, 16 bytes long.
Data: <0 z > 30 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002D5979AF860, 16 bytes long.
Data: < z > E0 02 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002D5979B02B0, 16 bytes long.
Data: < z > 10 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002D5979B00D0, 16 bytes long.
Data: <p z > 70 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002D5979AFB80, 16 bytes long.
Data: < z > 18 C0 14 7A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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