Task 38698498
| Name | test_824-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND3280_0 |
| Workunit | 31639016 |
| Created | 2 Nov 2026, 16:12:41 UTC |
| Sent | 2 Nov 2026, 16:12:46 UTC |
| Report deadline | 7 Nov 2026, 16:12:46 UTC |
| Received | 2 Nov 2026, 17:15:06 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631001 |
| Run time | 1 hours 1 min 39 sec |
| CPU time | 56 min 9 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,074.98 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 687.54 MB |
| Peak swap size | 8.39 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:15:32 (42312): wrapper (7.9.26016): starting
11:15:32 (42312): 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
11:15:33 (42312): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:15:33 (42312): 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\2\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\2\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
12:14:39 (42312): C:/Windows/system32/cmd.exe exited; CPU time 3369.796875
12:14:39 (42312): 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: 68072505 bytes.
Dumping objects ->
{3835430} normal block at 0x000001C1B69BE6B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835419} normal block at 0x000001C1B68E5FD0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835408} normal block at 0x000001C1B68E6510, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835397} normal block at 0x000001C1B68E63C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835386} normal block at 0x000001C1B68E6430, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835355} normal block at 0x000001C1B85F6130, 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) : {3835342} normal block at 0x000001C1B68E1640, 8 bytes long.
Data: < ç¶Á > 00 00 E7 B6 C1 01 00 00
{3833959} normal block at 0x000001C1B68E1AF0, 8 bytes long.
Data: < ]e¸Á > 10 5D 65 B8 C1 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001C1B68E2600, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001C1B68D83B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001C1B68E77A0, 16 bytes long.
Data: < kŽ¶Á > 18 6B 8E B6 C1 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C1B68E6C60, 16 bytes long.
Data: <ðjŽ¶Á > F0 6A 8E B6 C1 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001C1B68E09A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001C1B68E6DF0, 16 bytes long.
Data: <ÈjŽ¶Á > C8 6A 8E B6 C1 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C1B68E72F0, 16 bytes long.
Data: < jŽ¶Á > A0 6A 8E B6 C1 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C1B68E73E0, 16 bytes long.
Data: <xjŽ¶Á > 78 6A 8E B6 C1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C1B68E7520, 16 bytes long.
Data: <PjŽ¶Á > 50 6A 8E B6 C1 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C1B68E64A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001C1B68E7A70, 16 bytes long.
Data: < ¨ ¶Á > 18 A8 8D B6 C1 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C1B68E0760, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001C1B68E7B10, 16 bytes long.
Data: <𧠶Á > F0 A7 8D B6 C1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C1B68E7A20, 16 bytes long.
Data: <ȧ ¶Á > C8 A7 8D B6 C1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C1B68E7700, 16 bytes long.
Data: < § ¶Á > A0 A7 8D B6 C1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C1B68E7160, 16 bytes long.
Data: <x§ ¶Á > 78 A7 8D B6 C1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C1B68E7660, 16 bytes long.
Data: <P§ ¶Á > 50 A7 8D B6 C1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C1B68E7250, 16 bytes long.
Data: <(§ ¶Á > 28 A7 8D B6 C1 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C1B68E0100, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001C1B68E6D00, 16 bytes long.
Data: < § ¶Á > 00 A7 8D B6 C1 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C1B68DA700, 320 bytes long.
Data: < mŽ¶Á Ž¶Á > 00 6D 8E B6 C1 01 00 00 00 01 8E B6 C1 01 00 00
{275} normal block at 0x000001C1B68E7AC0, 16 bytes long.
Data: <0jŽ¶Á > 30 6A 8E B6 C1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C1B68E6CB0, 16 bytes long.
Data: < jŽ¶Á > 08 6A 8E B6 C1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C1B68E0460, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001C1B68E7610, 16 bytes long.
Data: <àiŽ¶Á > E0 69 8E B6 C1 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C1B68E0A60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001C1B68E79D0, 16 bytes long.
Data: <(iŽ¶Á > 28 69 8E B6 C1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C1B68E7110, 16 bytes long.
Data: < iŽ¶Á > 00 69 8E B6 C1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C1B68E75C0, 16 bytes long.
Data: <ØhŽ¶Á > D8 68 8E B6 C1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C1B68E6EE0, 16 bytes long.
Data: <°hŽ¶Á > B0 68 8E B6 C1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C1B68E7570, 16 bytes long.
Data: < hŽ¶Á > 88 68 8E B6 C1 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C1B68E1870, 16 bytes long.
Data: <`hŽ¶Á > 60 68 8E B6 C1 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C1B68E1780, 16 bytes long.
Data: < ^Ž¶Á > 80 5E 8E B6 C1 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C1B68E5E80, 40 bytes long.
Data: < Ž¶Á 0a_¸Á > 80 17 8E B6 C1 01 00 00 30 61 5F B8 C1 01 00 00
{261} normal block at 0x000001C1B68E1500, 16 bytes long.
Data: <@hŽ¶Á > 40 68 8E B6 C1 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C1B68E1280, 16 bytes long.
Data: < hŽ¶Á > 18 68 8E B6 C1 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C1B68E0A00, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001C1B68E1230, 16 bytes long.
Data: <ðgŽ¶Á > F0 67 8E B6 C1 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001C1B68E67F0, 992 bytes long.
Data: <0 Ž¶Á Ž¶Á > 30 12 8E B6 C1 01 00 00 00 0A 8E B6 C1 01 00 00
{93} normal block at 0x000001C1B68E0D60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001C1B68E1910, 16 bytes long.
Data: <@ ¶Á > 40 07 8D B6 C1 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001C1B68D0740, 40 bytes long.
Data: < Ž¶Á ` Ž¶Á > 10 19 8E B6 C1 01 00 00 60 0D 8E B6 C1 01 00 00
{70} normal block at 0x000001C1B68E1B90, 16 bytes long.
Data: < ê¡Yö > 80 EA A1 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C1B68E1D20, 16 bytes long.
Data: <@é¡Yö > 40 E9 A1 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C1B68E1550, 16 bytes long.
Data: <øWžYö > F8 57 9E 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C1B68E1D70, 16 bytes long.
Data: <ØWžYö > D8 57 9E 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C1B68E1370, 16 bytes long.
Data: <P žYö > 50 04 9E 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C1B68E12D0, 16 bytes long.
Data: <0 žYö > 30 04 9E 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C1B68E15F0, 16 bytes long.
Data: <à žYö > E0 02 9E 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C1B68E1140, 16 bytes long.
Data: < žYö > 10 04 9E 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C1B68E10F0, 16 bytes long.
Data: <p žYö > 70 04 9E 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C1B68E1690, 16 bytes long.
Data: < ÀœYö > 18 C0 9C 59 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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