Task 38650032
| Name | test_275-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND3249_0 |
| Workunit | 31594567 |
| Created | 23 Oct 2026, 22:36:47 UTC |
| Sent | 23 Oct 2026, 22:46:18 UTC |
| Report deadline | 28 Oct 2026, 22:46:18 UTC |
| Received | 23 Oct 2026, 23:37:10 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629480 |
| Run time | 25 min 33 sec |
| CPU time | 23 min 52 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,590.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 746.77 MB |
| Peak swap size | 9.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:12:08 (30024): wrapper (7.9.26016): starting
18:12:08 (30024): 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
18:12:09 (30024): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:12:09 (30024): 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.
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
18:36:44 (30024): C:/Windows/system32/cmd.exe exited; CPU time 1432.484375
18:36:44 (30024): 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: 31779315 bytes.
Dumping objects ->
{3835519} normal block at 0x0000026E5FE49E60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835508} normal block at 0x0000026E5FE4A2C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835497} normal block at 0x0000026E5FE4A330, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835486} normal block at 0x0000026E5DFD4720, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835475} normal block at 0x0000026E5DFD43A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835444} normal block at 0x0000026E5FE3A1F0, 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) : {3835431} normal block at 0x0000026E5DFCE0E0, 8 bytes long.
Data: < P^n > 00 00 50 5E 6E 02 00 00
{3833959} normal block at 0x0000026E5DFCE7C0, 8 bytes long.
Data: <p:ý]n > 70 3A FD 5D 6E 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000026E5DFD09C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000026E5DFC5BB0, 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 0x0000026E5DFD4E80, 16 bytes long.
Data: < _ý]n > 88 5F FD 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000026E5DFD5100, 16 bytes long.
Data: <`_ý]n > 60 5F FD 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026E5DFCF450, 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 0x0000026E5DFD5560, 16 bytes long.
Data: <8_ý]n > 38 5F FD 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000026E5DFD54C0, 16 bytes long.
Data: < _ý]n > 10 5F FD 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026E5DFD5920, 16 bytes long.
Data: <è^ý]n > E8 5E FD 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026E5DFD5010, 16 bytes long.
Data: <À^ý]n > C0 5E FD 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026E5DFD4410, 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 0x0000026E5DFD53D0, 16 bytes long.
Data: < éû]n > 98 E9 FB 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026E5DFCFC30, 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 0x0000026E5DFD5740, 16 bytes long.
Data: <péû]n > 70 E9 FB 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026E5DFD4F70, 16 bytes long.
Data: <Héû]n > 48 E9 FB 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026E5DFD5830, 16 bytes long.
Data: < éû]n > 20 E9 FB 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026E5DFD50B0, 16 bytes long.
Data: <øèû]n > F8 E8 FB 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026E5DFD5150, 16 bytes long.
Data: <Ðèû]n > D0 E8 FB 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026E5DFD56A0, 16 bytes long.
Data: <¨èû]n > A8 E8 FB 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026E5DFCFF90, 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 0x0000026E5DFD52E0, 16 bytes long.
Data: < èû]n > 80 E8 FB 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026E5DFBE880, 320 bytes long.
Data: <àRý]n ÿü]n > E0 52 FD 5D 6E 02 00 00 90 FF FC 5D 6E 02 00 00
{275} normal block at 0x0000026E5DFD5600, 16 bytes long.
Data: < ^ý]n > A0 5E FD 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026E5DFD57E0, 16 bytes long.
Data: <x^ý]n > 78 5E FD 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026E5DFCF390, 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 0x0000026E5DFD5A60, 16 bytes long.
Data: <P^ý]n > 50 5E FD 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026E5DFCF8D0, 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 0x0000026E5DFD5880, 16 bytes long.
Data: < ]ý]n > 98 5D FD 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026E5DFD5290, 16 bytes long.
Data: <p]ý]n > 70 5D FD 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026E5DFD5330, 16 bytes long.
Data: <H]ý]n > 48 5D FD 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026E5DFD4E30, 16 bytes long.
Data: < ]ý]n > 20 5D FD 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026E5DFD51A0, 16 bytes long.
Data: <ø\ý]n > F8 5C FD 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026E5DFD58D0, 16 bytes long.
Data: <Ð\ý]n > D0 5C FD 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000026E5DFD4D40, 16 bytes long.
Data: <0Cý]n > 30 43 FD 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026E5DFD4330, 40 bytes long.
Data: <@Mý]n ð¡ã_n > 40 4D FD 5D 6E 02 00 00 F0 A1 E3 5F 6E 02 00 00
{261} normal block at 0x0000026E5DFD5510, 16 bytes long.
Data: <°\ý]n > B0 5C FD 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000026E5DFD4CF0, 16 bytes long.
Data: < \ý]n > 88 5C FD 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000026E5DFCF930, 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 0x0000026E5DFD56F0, 16 bytes long.
Data: <`\ý]n > 60 5C FD 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000026E5DFD5C60, 992 bytes long.
Data: <ðVý]n 0ùü]n > F0 56 FD 5D 6E 02 00 00 30 F9 FC 5D 6E 02 00 00
{93} normal block at 0x0000026E5DFCF150, 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 0x0000026E5DFCE630, 16 bytes long.
Data: < Gý]n > 90 47 FD 5D 6E 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000026E5DFD4790, 40 bytes long.
Data: <0æü]n Pñü]n > 30 E6 FC 5D 6E 02 00 00 50 F1 FC 5D 6E 02 00 00
{70} normal block at 0x0000026E5DFCE220, 16 bytes long.
Data: < ê  ÷ > 80 EA 16 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000026E5DFCE5E0, 16 bytes long.
Data: <@é  ÷ > 40 E9 16 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026E5DFCEA40, 16 bytes long.
Data: <øW  ÷ > F8 57 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026E5DFCE950, 16 bytes long.
Data: <ØW  ÷ > D8 57 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026E5DFCEBD0, 16 bytes long.
Data: <P  ÷ > 50 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026E5DFCE9F0, 16 bytes long.
Data: <0  ÷ > 30 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026E5DFCEAE0, 16 bytes long.
Data: <à  ÷ > E0 02 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000026E5DFCEB80, 16 bytes long.
Data: <  ÷ > 10 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000026E5DFCEC70, 16 bytes long.
Data: <p  ÷ > 70 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026E5DFCE590, 16 bytes long.
Data: < À  ÷ > 18 C0 11 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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