Task 38683856
| Name | test_600-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND7740_0 |
| Workunit | 31625395 |
| Created | 27 Oct 2026, 13:37:37 UTC |
| Sent | 27 Oct 2026, 13:37:47 UTC |
| Report deadline | 1 Nov 2026, 13:37:47 UTC |
| Received | 27 Oct 2026, 14:19:05 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648521 |
| Run time | 25 min 18 sec |
| CPU time | 23 min 37 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 10,690.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 711.54 MB |
| Peak swap size | 9.78 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:52:24 (17204): wrapper (7.9.26016): starting
09:52:24 (17204): 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
09:52:25 (17204): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:52:25 (17204): 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
10:16:55 (17204): C:/Windows/system32/cmd.exe exited; CPU time 1417.578125
10:16:55 (17204): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 22631499 bytes.
Dumping objects ->
{3835280} normal block at 0x0000019CE80E48C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835269} normal block at 0x0000019CE80E4700, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835258} normal block at 0x0000019CE80E4690, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835247} normal block at 0x0000019CE80E45B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835236} normal block at 0x0000019CE80E4A80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835205} normal block at 0x0000019CE9E691B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835194} normal block at 0x0000019CE813CFC0, 140 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) : {3835191} normal block at 0x0000019CE80DE4F0, 8 bytes long.
Data: < gèœ > 00 00 67 E8 9C 01 00 00
{3834567} normal block at 0x0000019CE813CBB0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x0000019CE80DE860, 8 bytes long.
Data: < ë èœ > 80 EB 1B E8 9C 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000019CE80E0B00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019CE80CF5C0, 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 0x0000019CE80E5540, 16 bytes long.
Data: <hR èœ > 68 52 0E E8 9C 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019CE80E5EA0, 16 bytes long.
Data: <@R èœ > 40 52 0E E8 9C 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019CE80DFC10, 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 0x0000019CE80E6300, 16 bytes long.
Data: < R èœ > 18 52 0E E8 9C 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019CE80E54F0, 16 bytes long.
Data: <ðQ èœ > F0 51 0E E8 9C 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019CE80E5680, 16 bytes long.
Data: <ÈQ èœ > C8 51 0E E8 9C 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019CE80E5D60, 16 bytes long.
Data: < Q èœ > A0 51 0E E8 9C 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019CE80E4770, 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 0x0000019CE80E5400, 16 bytes long.
Data: <¸´ èœ > B8 B4 0C E8 9C 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019CE80DFAF0, 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 0x0000019CE80E5FE0, 16 bytes long.
Data: < ´ èœ > 90 B4 0C E8 9C 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019CE80E5950, 16 bytes long.
Data: <h´ èœ > 68 B4 0C E8 9C 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019CE80E58B0, 16 bytes long.
Data: <@´ èœ > 40 B4 0C E8 9C 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019CE80E5C20, 16 bytes long.
Data: < ´ èœ > 18 B4 0C E8 9C 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019CE80E5630, 16 bytes long.
Data: <ð³ èœ > F0 B3 0C E8 9C 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019CE80E5770, 16 bytes long.
Data: <ȳ èœ > C8 B3 0C E8 9C 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019CE80E00F0, 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 0x0000019CE80E6210, 16 bytes long.
Data: < ³ èœ > A0 B3 0C E8 9C 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019CE80CB3A0, 320 bytes long.
Data: < b èœ ð èœ > 10 62 0E E8 9C 01 00 00 F0 00 0E E8 9C 01 00 00
{273} normal block at 0x0000019CE80E5450, 16 bytes long.
Data: < Q èœ > 80 51 0E E8 9C 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019CE80E5F40, 16 bytes long.
Data: <XQ èœ > 58 51 0E E8 9C 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019CE80DFA90, 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 0x0000019CE80E62B0, 16 bytes long.
Data: <0Q èœ > 30 51 0E E8 9C 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019CE80DF550, 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 0x0000019CE80E55E0, 16 bytes long.
Data: <xP èœ > 78 50 0E E8 9C 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019CE80E5CC0, 16 bytes long.
Data: <PP èœ > 50 50 0E E8 9C 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019CE80E59A0, 16 bytes long.
Data: <(P èœ > 28 50 0E E8 9C 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019CE80E54A0, 16 bytes long.
Data: < P èœ > 00 50 0E E8 9C 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019CE80E6260, 16 bytes long.
Data: <ØO èœ > D8 4F 0E E8 9C 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019CE80DF2B0, 16 bytes long.
Data: <°O èœ > B0 4F 0E E8 9C 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019CE80DF1C0, 16 bytes long.
Data: <0I èœ > 30 49 0E E8 9C 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019CE80E4930, 40 bytes long.
Data: <Àñ èœ °‘æéœ > C0 F1 0D E8 9C 01 00 00 B0 91 E6 E9 9C 01 00 00
{259} normal block at 0x0000019CE80DF170, 16 bytes long.
Data: < O èœ > 90 4F 0E E8 9C 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000019CE80DF120, 16 bytes long.
Data: <hO èœ > 68 4F 0E E8 9C 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000019CE80DF430, 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 0x0000019CE80DF080, 16 bytes long.
Data: <@O èœ > 40 4F 0E E8 9C 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000019CE80E4F40, 992 bytes long.
Data: < ð èœ 0ô èœ > 80 F0 0D E8 9C 01 00 00 30 F4 0D E8 9C 01 00 00
{91} normal block at 0x0000019CE80DFD30, 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 0x0000019CE80DE810, 16 bytes long.
Data: <PÜ èœ > 50 DC 0C E8 9C 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000019CE80CDC50, 40 bytes long.
Data: < è èœ 0ý èœ > 10 E8 0D E8 9C 01 00 00 30 FD 0D E8 9C 01 00 00
{68} normal block at 0x0000019CE80DEE50, 16 bytes long.
Data: < êH{÷ > 80 EA 48 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019CE80DEE00, 16 bytes long.
Data: <@éH{÷ > 40 E9 48 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019CE80DEC70, 16 bytes long.
Data: <øWE{÷ > F8 57 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019CE80DEDB0, 16 bytes long.
Data: <ØWE{÷ > D8 57 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019CE80DE9F0, 16 bytes long.
Data: <P E{÷ > 50 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019CE80DE680, 16 bytes long.
Data: <0 E{÷ > 30 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019CE80DE9A0, 16 bytes long.
Data: <à E{÷ > E0 02 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019CE80DE770, 16 bytes long.
Data: < E{÷ > 10 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000019CE80DE720, 16 bytes long.
Data: <p E{÷ > 70 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000019CE80DEFE0, 16 bytes long.
Data: < ÀC{÷ > 18 C0 43 7B F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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