Task 38660412
| Name | test_967-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND9535_0 |
| Workunit | 31603923 |
| Created | 24 Oct 2026, 14:07:07 UTC |
| Sent | 24 Oct 2026, 14:13:27 UTC |
| Report deadline | 29 Oct 2026, 14:13:27 UTC |
| Received | 25 Oct 2026, 0:51:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638240 |
| Run time | 1 hours 18 min 13 sec |
| CPU time | 1 hours 12 min 26 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,210.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 752.46 MB |
| Peak swap size | 12.91 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:34:00 (7152): wrapper (7.9.26016): starting
16:34:00 (7152): 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
16:34:05 (7152): Library/usr/bin/tar.exe exited; CPU time 0.031250
16:34:05 (7152): 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
17:50:49 (7152): C:/Windows/system32/cmd.exe exited; CPU time 4346.468750
17:50:49 (7152): 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: 58272301 bytes.
Dumping objects ->
{3835553} normal block at 0x0000024368828450, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835542} normal block at 0x00000243688283E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835531} normal block at 0x00000243688281B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835520} normal block at 0x00000243688284C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835509} normal block at 0x0000024368828760, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835478} normal block at 0x000002436A5DDE50, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835467} normal block at 0x000002436A5F21C0, 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) : {3835464} normal block at 0x000002436881EE50, 8 bytes long.
Data: < LjC > 00 00 4C 6A 43 02 00 00
{3834683} normal block at 0x000002436A5F2690, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x000002436881F300, 8 bytes long.
Data: <ðocjC > F0 6F 63 6A 43 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002436881C2C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024368815C80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x00000243688295A0, 16 bytes long.
Data: <ÈŸ‚hC > C8 9F 82 68 43 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024368829BE0, 16 bytes long.
Data: < Ÿ‚hC > A0 9F 82 68 43 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024368824D90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x0000024368829370, 16 bytes long.
Data: <xŸ‚hC > 78 9F 82 68 43 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000243688290F0, 16 bytes long.
Data: <PŸ‚hC > 50 9F 82 68 43 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024368828EC0, 16 bytes long.
Data: <(Ÿ‚hC > 28 9F 82 68 43 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024368829B90, 16 bytes long.
Data: < Ÿ‚hC > 00 9F 82 68 43 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024368828530, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x0000024368829B40, 16 bytes long.
Data: <¸O hC > B8 4F 81 68 43 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024368824D30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x0000024368829AF0, 16 bytes long.
Data: < O hC > 90 4F 81 68 43 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024368829AA0, 16 bytes long.
Data: <hO hC > 68 4F 81 68 43 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024368829910, 16 bytes long.
Data: <@O hC > 40 4F 81 68 43 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024368829A00, 16 bytes long.
Data: < O hC > 18 4F 81 68 43 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024368829460, 16 bytes long.
Data: <ðN hC > F0 4E 81 68 43 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024368829550, 16 bytes long.
Data: <ÈN hC > C8 4E 81 68 43 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024368824430, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x00000243688290A0, 16 bytes long.
Data: < N hC > A0 4E 81 68 43 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024368814EA0, 320 bytes long.
Data: <  ‚hC 0D‚hC > A0 90 82 68 43 02 00 00 30 44 82 68 43 02 00 00
{273} normal block at 0x0000024368828FB0, 16 bytes long.
Data: <àž‚hC > E0 9E 82 68 43 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024368829140, 16 bytes long.
Data: <¸ž‚hC > B8 9E 82 68 43 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024368824F70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x0000024368829690, 16 bytes long.
Data: < ž‚hC > 90 9E 82 68 43 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000243688248B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x0000024368829A50, 16 bytes long.
Data: <Ø ‚hC > D8 9D 82 68 43 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000243688298C0, 16 bytes long.
Data: <° ‚hC > B0 9D 82 68 43 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024368829870, 16 bytes long.
Data: < ‚hC > 88 9D 82 68 43 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000243688299B0, 16 bytes long.
Data: <` ‚hC > 60 9D 82 68 43 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024368828F60, 16 bytes long.
Data: <8 ‚hC > 38 9D 82 68 43 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000243688296E0, 16 bytes long.
Data: < ‚hC > 10 9D 82 68 43 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024368829640, 16 bytes long.
Data: < …‚hC > A0 85 82 68 43 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000243688285A0, 40 bytes long.
Data: <@–‚hC PÞ]jC > 40 96 82 68 43 02 00 00 50 DE 5D 6A 43 02 00 00
{259} normal block at 0x0000024368828CE0, 16 bytes long.
Data: <ðœ‚hC > F0 9C 82 68 43 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000024368829960, 16 bytes long.
Data: <Èœ‚hC > C8 9C 82 68 43 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000024368824EB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x0000024368829730, 16 bytes long.
Data: < œ‚hC > A0 9C 82 68 43 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000024368829CA0, 992 bytes long.
Data: <0—‚hC °N‚hC > 30 97 82 68 43 02 00 00 B0 4E 82 68 43 02 00 00
{91} normal block at 0x0000024368824FD0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000002436881EDB0, 16 bytes long.
Data: <ð†‚hC > F0 86 82 68 43 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x00000243688286F0, 40 bytes long.
Data: <°í hC ÐO‚hC > B0 ED 81 68 43 02 00 00 D0 4F 82 68 43 02 00 00
{68} normal block at 0x000002436881F5D0, 16 bytes long.
Data: < êÞªö > 80 EA DE AA F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002436881FAD0, 16 bytes long.
Data: <@éÞªö > 40 E9 DE AA F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002436881F580, 16 bytes long.
Data: <øWÛªö > F8 57 DB AA F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002436881FA80, 16 bytes long.
Data: <ØWÛªö > D8 57 DB AA F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002436881FA30, 16 bytes long.
Data: <P Ûªö > 50 04 DB AA F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002436881F940, 16 bytes long.
Data: <0 Ûªö > 30 04 DB AA F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002436881F8F0, 16 bytes long.
Data: <à Ûªö > E0 02 DB AA F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002436881ECC0, 16 bytes long.
Data: < Ûªö > 10 04 DB AA F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002436881F8A0, 16 bytes long.
Data: <p Ûªö > 70 04 DB AA F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002436881F490, 16 bytes long.
Data: < ÀÙªö > 18 C0 D9 AA F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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