Task 38697380
| Name | test_177-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND7570_0 |
| Workunit | 31637962 |
| Created | 1 Nov 2026, 13:35:38 UTC |
| Sent | 1 Nov 2026, 13:35:40 UTC |
| Report deadline | 6 Nov 2026, 13:35:40 UTC |
| Received | 1 Nov 2026, 17:59:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 550238 |
| Run time | 49 min 1 sec |
| CPU time | 44 min 3 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,956.20 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 671.65 MB |
| Peak swap size | 3.08 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
15:06:44 (13624): wrapper (7.9.26016): starting
15:06:44 (13624): 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
15:06:48 (13624): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:06:48 (13624): 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 'D:\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 'D:\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) : {3835117} normal block at 0x000001A97571E3A0, 8 bytes long.
Data: < u > 00 00 C1 75 A9 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x000001A97737EA00, 1080 bytes long.
Data: <lE l > 6C 45 00 00 CD CD CD CD 6C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001A97571F1D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:18:34 (1672): wrapper (7.9.26016): starting
17:18:34 (1672): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\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
17:59:10 (1672): C:/Windows/system32/cmd.exe exited; CPU time 2328.468750
17:59:10 (1672): 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: 38750962 bytes.
Dumping objects ->
{1551} normal block at 0x000001DCD4A46030, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1540} normal block at 0x000001DCD4A45FC0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1529} normal block at 0x000001DCD4A46180, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{1518} normal block at 0x000001DCD4A45C40, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1507} normal block at 0x000001DCD4A45D90, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{1476} normal block at 0x000001DCD4A39F70, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000001DCD4A47250, 8 bytes long.
Data: < F > 00 00 46 D6 DC 01 00 00
{305} normal block at 0x000001DCD4A47480, 8 bytes long.
Data: <0| > 30 7C A4 D4 DC 01 00 00
{296} normal block at 0x000001DCD4A37990, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001DCD4A47700, 16 bytes long.
Data: <8{ > 38 7B A4 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001DCD4A46D00, 16 bytes long.
Data: < { > 10 7B A4 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001DCD4A41380, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001DCD4A47200, 16 bytes long.
Data: < z > E8 7A A4 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001DCD4A46DA0, 16 bytes long.
Data: < z > C0 7A A4 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001DCD4A47610, 16 bytes long.
Data: < z > 98 7A A4 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DCD4A46DF0, 16 bytes long.
Data: <pz > 70 7A A4 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DCD4A46110, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001DCD4A469E0, 16 bytes long.
Data: < > 08 FE A2 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DCD4A41680, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001DCD4A47160, 16 bytes long.
Data: < > E0 FD A2 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DCD4A46940, 16 bytes long.
Data: < > B8 FD A2 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DCD4A476B0, 16 bytes long.
Data: < > 90 FD A2 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DCD4A468F0, 16 bytes long.
Data: <h > 68 FD A2 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DCD4A46C60, 16 bytes long.
Data: <@ > 40 FD A2 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DCD4A46BC0, 16 bytes long.
Data: < > 18 FD A2 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DCD4A41AA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001DCD4A46B70, 16 bytes long.
Data: < > F0 FC A2 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DCD4A2FCF0, 320 bytes long.
Data: <pk > 70 6B A4 D4 DC 01 00 00 A0 1A A4 D4 DC 01 00 00
{275} normal block at 0x000001DCD4A468A0, 16 bytes long.
Data: <Pz > 50 7A A4 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DCD4A471B0, 16 bytes long.
Data: <(z > 28 7A A4 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DCD4A40EA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001DCD4A46B20, 16 bytes long.
Data: < z > 00 7A A4 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001DCD4A41560, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001DCD4A46AD0, 16 bytes long.
Data: <Hy > 48 79 A4 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DCD4A47390, 16 bytes long.
Data: < y > 20 79 A4 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DCD4A46CB0, 16 bytes long.
Data: < x > F8 78 A4 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DCD4A47340, 16 bytes long.
Data: < x > D0 78 A4 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DCD4A47660, 16 bytes long.
Data: < x > A8 78 A4 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001DCD4A47110, 16 bytes long.
Data: < x > 80 78 A4 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001DCD4A475C0, 16 bytes long.
Data: < ^ > E0 5E A4 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001DCD4A45EE0, 40 bytes long.
Data: < u p > C0 75 A4 D4 DC 01 00 00 70 9F A3 D4 DC 01 00 00
{261} normal block at 0x000001DCD4A46F80, 16 bytes long.
Data: <`x > 60 78 A4 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001DCD4A47750, 16 bytes long.
Data: <8x > 38 78 A4 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001DCD4A41320, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001DCD4A46A30, 16 bytes long.
Data: < x > 10 78 A4 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001DCD4A47810, 992 bytes long.
Data: <0j > 30 6A A4 D4 DC 01 00 00 20 13 A4 D4 DC 01 00 00
{93} normal block at 0x000001DCD4A41260, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001DCD4A3E4E0, 16 bytes long.
Data: <P_ > 50 5F A4 D4 DC 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001DCD4A45F50, 40 bytes long.
Data: < ` > E0 E4 A3 D4 DC 01 00 00 60 12 A4 D4 DC 01 00 00
{70} normal block at 0x000001DCD4A3E6C0, 16 bytes long.
Data: < > 80 EA D2 C6 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001DCD4A3EEE0, 16 bytes long.
Data: <@ > 40 E9 D2 C6 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001DCD4A3E530, 16 bytes long.
Data: < W > F8 57 CF C6 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001DCD4A3EE40, 16 bytes long.
Data: < W > D8 57 CF C6 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001DCD4A3ED50, 16 bytes long.
Data: <P > 50 04 CF C6 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001DCD4A3E7B0, 16 bytes long.
Data: <0 > 30 04 CF C6 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DCD4A3E8A0, 16 bytes long.
Data: < > E0 02 CF C6 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DCD4A3EDF0, 16 bytes long.
Data: < > 10 04 CF C6 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DCD4A3EB20, 16 bytes long.
Data: <p > 70 04 CF C6 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001DCD4A3E710, 16 bytes long.
Data: < > 18 C0 CD C6 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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