Task 38688307
| Name | test_5-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND9486_0 |
| Workunit | 31629664 |
| Created | 28 Oct 2026, 13:03:23 UTC |
| Sent | 28 Oct 2026, 13:03:29 UTC |
| Report deadline | 2 Nov 2026, 13:03:29 UTC |
| Received | 28 Oct 2026, 15:36:33 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 645421 |
| Run time | 2 hours 32 min 13 sec |
| CPU time | 2 hours 29 min 26 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 1,390.04 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 668.69 MB |
| Peak swap size | 5.18 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:03:03 (23192): wrapper (7.9.26016): starting
06:03:03 (23192): 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
06:03:04 (23192): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:03:04 (23192): 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\12\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\12\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
08:33:59 (23192): C:/Windows/system32/cmd.exe exited; CPU time 8966.671875
08:33:59 (23192): 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: 167283085 bytes.
Dumping objects ->
{3835203} normal block at 0x000002873282C960, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835192} normal block at 0x0000028730BC44B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835181} normal block at 0x0000028730BC4B40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835170} normal block at 0x0000028730BC4AD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835159} normal block at 0x0000028730BC4980, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835128} normal block at 0x00000287328754B0, 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) : {3835115} normal block at 0x0000028730BC01F0, 8 bytes long.
Data: < 1‡ > 00 00 02 31 87 02 00 00
{3833963} normal block at 0x0000028730BBF480, 8 bytes long.
Data: < 6 2‡ > 80 36 8D 32 87 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000028730BC06C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000028730BB61E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000028730BC5E20, 16 bytes long.
Data: <(S¼0‡ > 28 53 BC 30 87 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000028730BC5470, 16 bytes long.
Data: < S¼0‡ > 00 53 BC 30 87 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000028730BBEC60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000028730BC5FB0, 16 bytes long.
Data: <ØR¼0‡ > D8 52 BC 30 87 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000028730BC5880, 16 bytes long.
Data: <°R¼0‡ > B0 52 BC 30 87 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000028730BC5D30, 16 bytes long.
Data: < R¼0‡ > 88 52 BC 30 87 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000028730BC5C40, 16 bytes long.
Data: <`R¼0‡ > 60 52 BC 30 87 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000028730BC4910, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000028730BC57E0, 16 bytes long.
Data: <8Ž»0‡ > 38 8E BB 30 87 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000028730BBF0E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000028730BC5790, 16 bytes long.
Data: < Ž»0‡ > 10 8E BB 30 87 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000028730BC5830, 16 bytes long.
Data: <è »0‡ > E8 8D BB 30 87 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000028730BC6280, 16 bytes long.
Data: <À »0‡ > C0 8D BB 30 87 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000028730BC61E0, 16 bytes long.
Data: < »0‡ > 98 8D BB 30 87 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000028730BC5F60, 16 bytes long.
Data: <p »0‡ > 70 8D BB 30 87 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000028730BC5B00, 16 bytes long.
Data: <H »0‡ > 48 8D BB 30 87 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000028730BBEF60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000028730BC5C90, 16 bytes long.
Data: < »0‡ > 20 8D BB 30 87 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000028730BB8D20, 320 bytes long.
Data: < \¼0‡ `ï»0‡ > 90 5C BC 30 87 02 00 00 60 EF BB 30 87 02 00 00
{277} normal block at 0x0000028730BC5F10, 16 bytes long.
Data: <@R¼0‡ > 40 52 BC 30 87 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000028730BC58D0, 16 bytes long.
Data: < R¼0‡ > 18 52 BC 30 87 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000028730BBE9C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000028730BC63C0, 16 bytes long.
Data: <ðQ¼0‡ > F0 51 BC 30 87 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000028730BBEF00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000028730BC5CE0, 16 bytes long.
Data: <8Q¼0‡ > 38 51 BC 30 87 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000028730BC54C0, 16 bytes long.
Data: < Q¼0‡ > 10 51 BC 30 87 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000028730BC6190, 16 bytes long.
Data: <èP¼0‡ > E8 50 BC 30 87 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000028730BC5650, 16 bytes long.
Data: <ÀP¼0‡ > C0 50 BC 30 87 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000028730BC5AB0, 16 bytes long.
Data: < P¼0‡ > 98 50 BC 30 87 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000028730BC0380, 16 bytes long.
Data: <pP¼0‡ > 70 50 BC 30 87 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000028730BC0330, 16 bytes long.
Data: <@D¼0‡ > 40 44 BC 30 87 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000028730BC4440, 40 bytes long.
Data: <0 ¼0‡ °T‡2‡ > 30 03 BC 30 87 02 00 00 B0 54 87 32 87 02 00 00
{263} normal block at 0x0000028730BBF8E0, 16 bytes long.
Data: <PP¼0‡ > 50 50 BC 30 87 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000028730BC02E0, 16 bytes long.
Data: <(P¼0‡ > 28 50 BC 30 87 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000028730BBE540, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000028730BC0240, 16 bytes long.
Data: < P¼0‡ > 00 50 BC 30 87 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000028730BC5000, 992 bytes long.
Data: <@ ¼0‡ @å»0‡ > 40 02 BC 30 87 02 00 00 40 E5 BB 30 87 02 00 00
{95} normal block at 0x0000028730BBE7E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000028730BBFA70, 16 bytes long.
Data: <°Òº0‡ > B0 D2 BA 30 87 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000028730BAD2B0, 40 bytes long.
Data: <pú»0‡ àç»0‡ > 70 FA BB 30 87 02 00 00 E0 E7 BB 30 87 02 00 00
{72} normal block at 0x0000028730BBFAC0, 16 bytes long.
Data: < ê t÷ > 80 EA 12 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000028730BBFCA0, 16 bytes long.
Data: <@é t÷ > 40 E9 12 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000028730BBF930, 16 bytes long.
Data: <øW t÷ > F8 57 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000028730BBFB10, 16 bytes long.
Data: <ØW t÷ > D8 57 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000028730BBF980, 16 bytes long.
Data: <P t÷ > 50 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000028730BBFDE0, 16 bytes long.
Data: <0 t÷ > 30 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000028730BBFC50, 16 bytes long.
Data: <à t÷ > E0 02 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000028730BC0150, 16 bytes long.
Data: < t÷ > 10 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000028730BBFD40, 16 bytes long.
Data: <p t÷ > 70 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000028730BC0010, 16 bytes long.
Data: < À t÷ > 18 C0 0D 74 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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