Task 38683049
| Name | test_798-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND8848_0 |
| Workunit | 31624631 |
| Created | 27 Oct 2026, 10:12:41 UTC |
| Sent | 27 Oct 2026, 10:12:44 UTC |
| Report deadline | 1 Nov 2026, 10:12:44 UTC |
| Received | 27 Oct 2026, 10:44:21 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 606178 |
| Run time | 30 min 34 sec |
| CPU time | 29 min 7 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 709.65 MB |
| Peak swap size | 6.88 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
11:14:03 (34676): wrapper (7.9.26016): starting
11:14:03 (34676): 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
11:14:04 (34676): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:14:04 (34676): 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\4\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\4\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
11:43:29 (34676): C:/Windows/system32/cmd.exe exited; CPU time 1747.375000
11:43:29 (34676): 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: 39259407 bytes.
Dumping objects ->
{3835262} normal block at 0x000001AF66F6AC20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835251} normal block at 0x000001AF66F6B160, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x000001AF66F6B860, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835229} normal block at 0x000001AF66F6AD70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x000001AF66F6B630, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835187} normal block at 0x000001AF68D4BA10, 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) : {3835174} normal block at 0x000001AF66F3F8A0, 8 bytes long.
Data: < Eg¯ > 00 00 45 67 AF 01 00 00
{3833967} normal block at 0x000001AF66F3F4E0, 8 bytes long.
Data: <@xÚh¯ > 40 78 DA 68 AF 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001AF66F42AE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001AF66F37C50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001AF66F47840, 16 bytes long.
Data: <¸‡ôf¯ > B8 87 F4 66 AF 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001AF66F48380, 16 bytes long.
Data: < ‡ôf¯ > 90 87 F4 66 AF 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001AF66F42110, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001AF66F48060, 16 bytes long.
Data: <h‡ôf¯ > 68 87 F4 66 AF 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001AF66F481A0, 16 bytes long.
Data: <@‡ôf¯ > 40 87 F4 66 AF 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001AF66F47B10, 16 bytes long.
Data: < ‡ôf¯ > 18 87 F4 66 AF 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001AF66F477F0, 16 bytes long.
Data: <ð†ôf¯ > F0 86 F4 66 AF 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001AF66F45D50, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001AF66F47AC0, 16 bytes long.
Data: < óf¯ > 98 04 F3 66 AF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001AF66F420B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001AF66F47A70, 16 bytes long.
Data: <p óf¯ > 70 04 F3 66 AF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001AF66F47980, 16 bytes long.
Data: <H óf¯ > 48 04 F3 66 AF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001AF66F47FC0, 16 bytes long.
Data: < óf¯ > 20 04 F3 66 AF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001AF66F47BB0, 16 bytes long.
Data: <ø óf¯ > F8 03 F3 66 AF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001AF66F479D0, 16 bytes long.
Data: <Ð óf¯ > D0 03 F3 66 AF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001AF66F47E80, 16 bytes long.
Data: <¨ óf¯ > A8 03 F3 66 AF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001AF66F41F90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001AF66F47930, 16 bytes long.
Data: < óf¯ > 80 03 F3 66 AF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001AF66F30380, 320 bytes long.
Data: <0yôf¯ ôf¯ > 30 79 F4 66 AF 01 00 00 90 1F F4 66 AF 01 00 00
{279} normal block at 0x000001AF66F48150, 16 bytes long.
Data: <Іôf¯ > D0 86 F4 66 AF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001AF66F47D40, 16 bytes long.
Data: <¨†ôf¯ > A8 86 F4 66 AF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001AF66F42050, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001AF66F48330, 16 bytes long.
Data: < †ôf¯ > 80 86 F4 66 AF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001AF66F42650, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001AF66F47700, 16 bytes long.
Data: <È…ôf¯ > C8 85 F4 66 AF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001AF66F47CF0, 16 bytes long.
Data: < …ôf¯ > A0 85 F4 66 AF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001AF66F474D0, 16 bytes long.
Data: <x…ôf¯ > 78 85 F4 66 AF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001AF66F47520, 16 bytes long.
Data: <P…ôf¯ > 50 85 F4 66 AF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001AF66F47A20, 16 bytes long.
Data: <(…ôf¯ > 28 85 F4 66 AF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001AF66F47890, 16 bytes long.
Data: < …ôf¯ > 00 85 F4 66 AF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001AF66F47ED0, 16 bytes long.
Data: < _ôf¯ > 10 5F F4 66 AF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001AF66F45F10, 40 bytes long.
Data: <Ð~ôf¯ ºÔh¯ > D0 7E F4 66 AF 01 00 00 10 BA D4 68 AF 01 00 00
{265} normal block at 0x000001AF66F48100, 16 bytes long.
Data: <à„ôf¯ > E0 84 F4 66 AF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001AF66F48290, 16 bytes long.
Data: <¸„ôf¯ > B8 84 F4 66 AF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001AF66F41E10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001AF66F478E0, 16 bytes long.
Data: < „ôf¯ > 90 84 F4 66 AF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001AF66F48490, 992 bytes long.
Data: <àxôf¯ ôf¯ > E0 78 F4 66 AF 01 00 00 10 1E F4 66 AF 01 00 00
{97} normal block at 0x000001AF66F41BD0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001AF66F3F350, 16 bytes long.
Data: < ^ôf¯ > A0 5E F4 66 AF 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001AF66F45EA0, 40 bytes long.
Data: <Póóf¯ Ð ôf¯ > 50 F3 F3 66 AF 01 00 00 D0 1B F4 66 AF 01 00 00
{74} normal block at 0x000001AF66F40070, 16 bytes long.
Data: < êþÇ÷ > 80 EA FE C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001AF66F3FF80, 16 bytes long.
Data: <@éþÇ÷ > 40 E9 FE C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001AF66F401B0, 16 bytes long.
Data: <øWûÇ÷ > F8 57 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001AF66F3F7B0, 16 bytes long.
Data: <ØWûÇ÷ > D8 57 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001AF66F3FCB0, 16 bytes long.
Data: <P ûÇ÷ > 50 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001AF66F3F760, 16 bytes long.
Data: <0 ûÇ÷ > 30 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001AF66F3F580, 16 bytes long.
Data: <à ûÇ÷ > E0 02 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001AF66F40160, 16 bytes long.
Data: < ûÇ÷ > 10 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001AF66F3F8F0, 16 bytes long.
Data: <p ûÇ÷ > 70 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001AF66F3FE40, 16 bytes long.
Data: < ÀùÇ÷ > 18 C0 F9 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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