Task 38673321
| Name | test_606-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND3887_1 |
| Workunit | 31611875 |
| Created | 26 Oct 2026, 2:04:32 UTC |
| Sent | 26 Oct 2026, 2:04:35 UTC |
| Report deadline | 31 Oct 2026, 2:04:35 UTC |
| Received | 26 Oct 2026, 5:36:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 590723 |
| Run time | 53 min 19 sec |
| CPU time | 48 min 56 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,255.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 716.79 MB |
| Peak swap size | 8.36 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:43:58 (10272): wrapper (7.9.26016): starting
23:43:58 (10272): 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
23:43:59 (10272): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:43:59 (10272): 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
00:36:22 (10272): C:/Windows/system32/cmd.exe exited; CPU time 2936.437500
00:36:22 (10272): 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: 48412647 bytes.
Dumping objects ->
{3835508} normal block at 0x00000287A43A6570, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835497} normal block at 0x00000287A43A65E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835486} normal block at 0x00000287A43A6500, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835475} normal block at 0x00000287A43A6650, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835464} normal block at 0x00000287A43A6490, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835433} normal block at 0x00000287A6178580, 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) : {3835420} normal block at 0x00000287A439F4A0, 8 bytes long.
Data: < “¤‡ > 00 00 93 A4 87 02 00 00
{3833967} normal block at 0x00000287A43A0260, 8 bytes long.
Data: <  ¦‡ > A0 05 10 A6 87 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000287A43972F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000287A4398980, 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 0x00000287A43A6F30, 16 bytes long.
Data: <x|:¤‡ > 78 7C 3A A4 87 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000287A43A74D0, 16 bytes long.
Data: <P|:¤‡ > 50 7C 3A A4 87 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000287A43A15B0, 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 0x00000287A43A7430, 16 bytes long.
Data: <(|:¤‡ > 28 7C 3A A4 87 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000287A43A6B70, 16 bytes long.
Data: < |:¤‡ > 00 7C 3A A4 87 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000287A43A7390, 16 bytes long.
Data: <Ø{:¤‡ > D8 7B 3A A4 87 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000287A43A6CB0, 16 bytes long.
Data: <°{:¤‡ > B0 7B 3A A4 87 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000287A43A5F50, 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 0x00000287A43A7840, 16 bytes long.
Data: <h 9¤‡ > 68 0E 39 A4 87 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000287A43A1550, 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 0x00000287A43A6C60, 16 bytes long.
Data: <@ 9¤‡ > 40 0E 39 A4 87 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000287A43A6E90, 16 bytes long.
Data: < 9¤‡ > 18 0E 39 A4 87 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000287A43A6E40, 16 bytes long.
Data: <ð 9¤‡ > F0 0D 39 A4 87 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000287A43A7340, 16 bytes long.
Data: <È 9¤‡ > C8 0D 39 A4 87 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000287A43A6B20, 16 bytes long.
Data: <  9¤‡ > A0 0D 39 A4 87 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000287A43A6C10, 16 bytes long.
Data: <x 9¤‡ > 78 0D 39 A4 87 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000287A43A10D0, 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 0x00000287A43A72F0, 16 bytes long.
Data: <P 9¤‡ > 50 0D 39 A4 87 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000287A4390D50, 320 bytes long.
Data: <ðr:¤‡ Ð :¤‡ > F0 72 3A A4 87 02 00 00 D0 10 3A A4 87 02 00 00
{279} normal block at 0x00000287A43A73E0, 16 bytes long.
Data: < {:¤‡ > 90 7B 3A A4 87 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000287A43A72A0, 16 bytes long.
Data: <h{:¤‡ > 68 7B 3A A4 87 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000287A43A19D0, 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 0x00000287A43A7020, 16 bytes long.
Data: <@{:¤‡ > 40 7B 3A A4 87 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000287A43A1CD0, 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 0x00000287A43A6A30, 16 bytes long.
Data: < z:¤‡ > 88 7A 3A A4 87 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000287A43A6DF0, 16 bytes long.
Data: <`z:¤‡ > 60 7A 3A A4 87 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000287A43A76B0, 16 bytes long.
Data: <8z:¤‡ > 38 7A 3A A4 87 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000287A43A7610, 16 bytes long.
Data: < z:¤‡ > 10 7A 3A A4 87 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000287A43A6A80, 16 bytes long.
Data: <èy:¤‡ > E8 79 3A A4 87 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000287A43A70C0, 16 bytes long.
Data: <Ày:¤‡ > C0 79 3A A4 87 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000287A43A7250, 16 bytes long.
Data: <@c:¤‡ > 40 63 3A A4 87 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000287A43A6340, 40 bytes long.
Data: <Pr:¤‡ … ¦‡ > 50 72 3A A4 87 02 00 00 80 85 17 A6 87 02 00 00
{265} normal block at 0x00000287A43A71B0, 16 bytes long.
Data: < y:¤‡ > A0 79 3A A4 87 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000287A43A7480, 16 bytes long.
Data: <xy:¤‡ > 78 79 3A A4 87 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000287A43A18B0, 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 0x00000287A43A6EE0, 16 bytes long.
Data: <Py:¤‡ > 50 79 3A A4 87 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000287A43A7950, 992 bytes long.
Data: <àn:¤‡ ° :¤‡ > E0 6E 3A A4 87 02 00 00 B0 18 3A A4 87 02 00 00
{97} normal block at 0x00000287A43A1970, 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 0x00000287A439FAE0, 16 bytes long.
Data: <`Ø8¤‡ > 60 D8 38 A4 87 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000287A438D860, 40 bytes long.
Data: <àú9¤‡ p :¤‡ > E0 FA 39 A4 87 02 00 00 70 19 3A A4 87 02 00 00
{74} normal block at 0x00000287A43A02B0, 16 bytes long.
Data: < ê °ö > 80 EA A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000287A439F400, 16 bytes long.
Data: <@é °ö > 40 E9 A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000287A43A0210, 16 bytes long.
Data: <øW °ö > F8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000287A439FD10, 16 bytes long.
Data: <ØW °ö > D8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000287A439F590, 16 bytes long.
Data: <P °ö > 50 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000287A439F950, 16 bytes long.
Data: <0 °ö > 30 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000287A439FCC0, 16 bytes long.
Data: <à °ö > E0 02 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000287A439FC70, 16 bytes long.
Data: < °ö > 10 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000287A439FC20, 16 bytes long.
Data: <p °ö > 70 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000287A43A01C0, 16 bytes long.
Data: < À›°ö > 18 C0 9B B0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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