Task 38689231
| Name | test_962-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND3527_0 |
| Workunit | 31630500 |
| Created | 28 Oct 2026, 19:22:55 UTC |
| Sent | 28 Oct 2026, 19:23:01 UTC |
| Report deadline | 2 Nov 2026, 19:23:01 UTC |
| Received | 28 Oct 2026, 21:02:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631047 |
| Run time | 1 hours 26 min 9 sec |
| CPU time | 1 hours 5 min 43 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,933.54 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 750.83 MB |
| Peak swap size | 9.21 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:36:45 (29000): wrapper (7.9.26016): starting
04:36:45 (29000): 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
04:36:51 (29000): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:36:51 (29000): 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
05:59:54 (29000): C:/Windows/system32/cmd.exe exited; CPU time 3943.250000
05:59:54 (29000): 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: 81023003 bytes.
Dumping objects ->
{3835555} normal block at 0x000001BED7A649F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835544} normal block at 0x000001BED7A64750, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835533} normal block at 0x000001BED7A646E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835522} normal block at 0x000001BED7A64980, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835511} normal block at 0x000001BED7A64910, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835480} normal block at 0x000001BED9C06430, 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) : {3835467} normal block at 0x000001BED7A5DF10, 8 bytes long.
Data: < ؾ > 00 00 12 D8 BE 01 00 00
{3834045} normal block at 0x000001BED7A5DF60, 8 bytes long.
Data: <pؤ׾ > 70 D8 A4 D7 BE 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001BED7A608E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001BED7A55C30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001BED7A65230, 16 bytes long.
Data: <Xa¦×¾ > 58 61 A6 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BED7A65140, 16 bytes long.
Data: <0a¦×¾ > 30 61 A6 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BED7A5FCB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001BED7A65910, 16 bytes long.
Data: < a¦×¾ > 08 61 A6 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BED7A65320, 16 bytes long.
Data: < `¦×¾ > E0 60 A6 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BED7A65AF0, 16 bytes long.
Data: <¸`¦×¾ > B8 60 A6 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BED7A64FB0, 16 bytes long.
Data: < `¦×¾ > 90 60 A6 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BED7A64B40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001BED7A656E0, 16 bytes long.
Data: <È ¤×¾ > C8 F3 A4 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BED7A5F890, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001BED7A65640, 16 bytes long.
Data: < ¤×¾ > A0 F3 A4 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BED7A65AA0, 16 bytes long.
Data: <x ¤×¾ > 78 F3 A4 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BED7A65460, 16 bytes long.
Data: <P ¤×¾ > 50 F3 A4 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BED7A65D70, 16 bytes long.
Data: <( ¤×¾ > 28 F3 A4 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BED7A655F0, 16 bytes long.
Data: < ¤×¾ > 00 F3 A4 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BED7A65B90, 16 bytes long.
Data: <Ø ¤×¾ > D8 F2 A4 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BED7A5FB90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001BED7A655A0, 16 bytes long.
Data: <° ¤×¾ > B0 F2 A4 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BED7A4F2B0, 320 bytes long.
Data: < U¦×¾ ¥×¾ > A0 55 A6 D7 BE 01 00 00 90 FB A5 D7 BE 01 00 00
{273} normal block at 0x000001BED7A65410, 16 bytes long.
Data: <p`¦×¾ > 70 60 A6 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BED7A65BE0, 16 bytes long.
Data: <H`¦×¾ > 48 60 A6 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BED7A5F9B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001BED7A65820, 16 bytes long.
Data: < `¦×¾ > 20 60 A6 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BED7A5F170, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001BED7A65C80, 16 bytes long.
Data: <h_¦×¾ > 68 5F A6 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BED7A653C0, 16 bytes long.
Data: <@_¦×¾ > 40 5F A6 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BED7A65550, 16 bytes long.
Data: < _¦×¾ > 18 5F A6 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BED7A650F0, 16 bytes long.
Data: < ^¦×¾ > F0 5E A6 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BED7A659B0, 16 bytes long.
Data: <È^¦×¾ > C8 5E A6 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BED7A65500, 16 bytes long.
Data: < ^¦×¾ > A0 5E A6 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BED7A65870, 16 bytes long.
Data: <ÀG¦×¾ > C0 47 A6 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BED7A647C0, 40 bytes long.
Data: <pX¦×¾ 0dÀÙ¾ > 70 58 A6 D7 BE 01 00 00 30 64 C0 D9 BE 01 00 00
{259} normal block at 0x000001BED7A65690, 16 bytes long.
Data: < ^¦×¾ > 80 5E A6 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001BED7A654B0, 16 bytes long.
Data: <X^¦×¾ > 58 5E A6 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001BED7A5FAD0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001BED7A64F60, 16 bytes long.
Data: <0^¦×¾ > 30 5E A6 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001BED7A65E30, 992 bytes long.
Data: <`O¦×¾ Ð ¥×¾ > 60 4F A6 D7 BE 01 00 00 D0 FA A5 D7 BE 01 00 00
{91} normal block at 0x000001BED7A5FB30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001BED7A5E3C0, 16 bytes long.
Data: <@ ¤×¾ > 40 EF A4 D7 BE 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001BED7A4EF40, 40 bytes long.
Data: <À ¥×¾ 0 ¥×¾ > C0 E3 A5 D7 BE 01 00 00 30 FB A5 D7 BE 01 00 00
{66} normal block at 0x000001BED7A5EC80, 16 bytes long.
Data: < ` > 80 EA 88 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BED7A5E050, 16 bytes long.
Data: <@ ` > 40 E9 88 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BED7A5E000, 16 bytes long.
Data: < W ` > F8 57 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BED7A5E960, 16 bytes long.
Data: <ØW ` > D8 57 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BED7A5EDC0, 16 bytes long.
Data: <P ` > 50 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001BED7A5E5A0, 16 bytes long.
Data: <0 ` > 30 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001BED7A5EC30, 16 bytes long.
Data: < ` > E0 02 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001BED7A5DEC0, 16 bytes long.
Data: < ` > 10 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001BED7A5EAA0, 16 bytes long.
Data: <p ` > 70 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001BED7A5ED20, 16 bytes long.
Data: < À ` > 18 C0 83 60 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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