Task 38672753
| Name | test_548-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND2909_0 |
| Workunit | 31614874 |
| Created | 26 Oct 2026, 0:22:12 UTC |
| Sent | 26 Oct 2026, 0:22:22 UTC |
| Report deadline | 31 Oct 2026, 0:22:22 UTC |
| Received | 26 Oct 2026, 1:27:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649737 |
| Run time | 1 hours 3 min 13 sec |
| CPU time | 1 hours 0 min 36 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,635.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 665.94 MB |
| Peak swap size | 3.70 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:24:57 (19852): wrapper (7.9.26016): starting
13:24:57 (19852): 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
13:24:59 (19852): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:24:59 (19852): 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\5\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\5\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
14:26:49 (19852): C:/Windows/system32/cmd.exe exited; CPU time 3636.593750
14:26:49 (19852): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 60456327 bytes.
Dumping objects ->
{3835297} normal block at 0x0000020DF66B4830, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835286} normal block at 0x0000020DF66B4BB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835275} normal block at 0x0000020DF66B4EC0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835264} normal block at 0x0000020DF49FB400, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835253} normal block at 0x0000020DF49FB390, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835222} normal block at 0x0000020DF65CBC10, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835211} normal block at 0x0000020DF662DA70, 102 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) : {3835208} normal block at 0x0000020DF49F7250, 8 bytes long.
Data: < <ö > 00 00 3C F6 0D 02 00 00
{3834578} normal block at 0x0000020DF662D910, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833951} normal block at 0x0000020DF49F6F80, 8 bytes long.
Data: <°÷¤ô > B0 F7 A4 F4 0D 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000020DF4A00120, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020DF49E5CC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x0000020DF4A01DE0, 16 bytes long.
Data: <h7 ô > 68 37 A0 F4 0D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020DF4A01D90, 16 bytes long.
Data: <@7 ô > 40 37 A0 F4 0D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020DF49FC7C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x0000020DF4A01D40, 16 bytes long.
Data: < 7 ô > 18 37 A0 F4 0D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020DF4A018E0, 16 bytes long.
Data: <ð6 ô > F0 36 A0 F4 0D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020DF4A01890, 16 bytes long.
Data: <È6 ô > C8 36 A0 F4 0D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020DF4A01C50, 16 bytes long.
Data: < 6 ô > A0 36 A0 F4 0D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020DF49FB4E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x0000020DF4A01340, 16 bytes long.
Data: <X\žô > 58 5C 9E F4 0D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020DF49FCBE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x0000020DF4A01BB0, 16 bytes long.
Data: <0\žô > 30 5C 9E F4 0D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020DF4A01B60, 16 bytes long.
Data: < \žô > 08 5C 9E F4 0D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020DF4A01E30, 16 bytes long.
Data: <à[žô > E0 5B 9E F4 0D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020DF4A01480, 16 bytes long.
Data: <¸[žô > B8 5B 9E F4 0D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020DF4A01700, 16 bytes long.
Data: < [žô > 90 5B 9E F4 0D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020DF4A012A0, 16 bytes long.
Data: <h[žô > 68 5B 9E F4 0D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020DF49FCCA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x0000020DF4A017F0, 16 bytes long.
Data: <@[žô > 40 5B 9E F4 0D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020DF49E5B40, 320 bytes long.
Data: <ð  ô  ÌŸô > F0 17 A0 F4 0D 02 00 00 A0 CC 9F F4 0D 02 00 00
{271} normal block at 0x0000020DF4A01070, 16 bytes long.
Data: < 6 ô > 80 36 A0 F4 0D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020DF4A016B0, 16 bytes long.
Data: <X6 ô > 58 36 A0 F4 0D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020DF49FCD00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x0000020DF4A015C0, 16 bytes long.
Data: <06 ô > 30 36 A0 F4 0D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020DF49FC760, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x0000020DF4A01FC0, 16 bytes long.
Data: <x5 ô > 78 35 A0 F4 0D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020DF4A01430, 16 bytes long.
Data: <P5 ô > 50 35 A0 F4 0D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020DF4A01ED0, 16 bytes long.
Data: <(5 ô > 28 35 A0 F4 0D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020DF4A017A0, 16 bytes long.
Data: < 5 ô > 00 35 A0 F4 0D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020DF4A01250, 16 bytes long.
Data: <Ø4 ô > D8 34 A0 F4 0D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020DF4A01CF0, 16 bytes long.
Data: <°4 ô > B0 34 A0 F4 0D 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000020DF4A01CA0, 16 bytes long.
Data: < ·Ÿô > 80 B7 9F F4 0D 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000020DF49FB780, 40 bytes long.
Data: <   ô ¼\ö > A0 1C A0 F4 0D 02 00 00 10 BC 5C F6 0D 02 00 00
{257} normal block at 0x0000020DF4A01110, 16 bytes long.
Data: < 4 ô > 90 34 A0 F4 0D 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000020DF4A019D0, 16 bytes long.
Data: <h4 ô > 68 34 A0 F4 0D 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000020DF49FCA60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x0000020DF4A013E0, 16 bytes long.
Data: <@4 ô > 40 34 A0 F4 0D 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000020DF4A03440, 992 bytes long.
Data: <à  ô `ÊŸô > E0 13 A0 F4 0D 02 00 00 60 CA 9F F4 0D 02 00 00
{89} normal block at 0x0000020DF49FD480, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x0000020DF49F6E90, 16 bytes long.
Data: <PµŸô > 50 B5 9F F4 0D 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000020DF49FB550, 40 bytes long.
Data: < nŸô ÔŸô > 90 6E 9F F4 0D 02 00 00 80 D4 9F F4 0D 02 00 00
{66} normal block at 0x0000020DF49F6D00, 16 bytes long.
Data: < êCüö > 80 EA 43 FC F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020DF49F6CB0, 16 bytes long.
Data: <@éCüö > 40 E9 43 FC F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020DF49F6490, 16 bytes long.
Data: <øW@üö > F8 57 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020DF49F6B70, 16 bytes long.
Data: <ØW@üö > D8 57 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020DF49F6F30, 16 bytes long.
Data: <P @üö > 50 04 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000020DF49F71B0, 16 bytes long.
Data: <0 @üö > 30 04 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000020DF49F7020, 16 bytes long.
Data: <à @üö > E0 02 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000020DF49F6A30, 16 bytes long.
Data: < @üö > 10 04 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000020DF49F6C60, 16 bytes long.
Data: <p @üö > 70 04 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000020DF49F6FD0, 16 bytes long.
Data: < À>üö > 18 C0 3E FC F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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