Task 38680476
| Name | test_819-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND9153_0 |
| Workunit | 31622195 |
| Created | 27 Oct 2026, 0:06:51 UTC |
| Sent | 27 Oct 2026, 0:06:56 UTC |
| Report deadline | 1 Nov 2026, 0:06:56 UTC |
| Received | 27 Oct 2026, 0:58:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 632099 |
| Run time | 25 min 40 sec |
| CPU time | 25 min 33 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 30,032.43 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 725.77 MB |
| Peak swap size | 12.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:32:43 (10428): wrapper (7.9.26016): starting
01:32:43 (10428): 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
01:32:44 (10428): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:32:44 (10428): 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\1\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\1\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
01:57:35 (10428): C:/Windows/system32/cmd.exe exited; CPU time 1533.281250
01:57:35 (10428): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 19821707 bytes.
Dumping objects ->
{3835270} normal block at 0x000001E0D5887DE0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835259} normal block at 0x000001E0D58878A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835248} normal block at 0x000001E0D58880F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835237} normal block at 0x000001E0D5887A60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835226} normal block at 0x000001E0D58877C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835195} normal block at 0x000001E0D74ED500, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835184} normal block at 0x000001E0D7488550, 160 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) : {3835181} normal block at 0x000001E0D58568B0, 8 bytes long.
Data: < }Õà > 00 00 7D D5 E0 01 00 00
{3834569} normal block at 0x000001E0D74881D0, 160 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x000001E0D58567C0, 8 bytes long.
Data: < –X×à > 20 96 58 D7 E0 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001E0D5863040, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E0D5845D80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001E0D58641C0, 16 bytes long.
Data: <xR†Õà > 78 52 86 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E0D5864C60, 16 bytes long.
Data: <PR†Õà > 50 52 86 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E0D585CA80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001E0D5863F90, 16 bytes long.
Data: <(R†Õà > 28 52 86 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E0D5864170, 16 bytes long.
Data: < R†Õà > 00 52 86 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E0D5864C10, 16 bytes long.
Data: <ØQ†Õà > D8 51 86 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E0D5864B20, 16 bytes long.
Data: <°Q†Õà > B0 51 86 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E0D585EAA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001E0D5864D50, 16 bytes long.
Data: < ]„Õà > 18 5D 84 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E0D585CD20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001E0D5864350, 16 bytes long.
Data: <ð\„Õà > F0 5C 84 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E0D5864AD0, 16 bytes long.
Data: <È\„Õà > C8 5C 84 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E0D58648F0, 16 bytes long.
Data: < \„Õà > A0 5C 84 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E0D5864580, 16 bytes long.
Data: <x\„Õà > 78 5C 84 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E0D5864940, 16 bytes long.
Data: <P\„Õà > 50 5C 84 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E0D5864A30, 16 bytes long.
Data: <(\„Õà > 28 5C 84 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E0D585CAE0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001E0D58644E0, 16 bytes long.
Data: < \„Õà > 00 5C 84 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E0D5845C00, 320 bytes long.
Data: <àD†Õà àÊ…Õà > E0 44 86 D5 E0 01 00 00 E0 CA 85 D5 E0 01 00 00
{274} normal block at 0x000001E0D5864490, 16 bytes long.
Data: < Q†Õà > 90 51 86 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E0D5864080, 16 bytes long.
Data: <hQ†Õà > 68 51 86 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E0D585CFC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001E0D58649E0, 16 bytes long.
Data: <@Q†Õà > 40 51 86 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E0D585C840, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001E0D5864120, 16 bytes long.
Data: < P†Õà > 88 50 86 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E0D5864850, 16 bytes long.
Data: <`P†Õà > 60 50 86 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E0D5864D00, 16 bytes long.
Data: <8P†Õà > 38 50 86 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E0D5864E90, 16 bytes long.
Data: < P†Õà > 10 50 86 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E0D5864030, 16 bytes long.
Data: <èO†Õà > E8 4F 86 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E0D5864990, 16 bytes long.
Data: <ÀO†Õà > C0 4F 86 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E0D5864530, 16 bytes long.
Data: <°í…Õà > B0 ED 85 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E0D585EDB0, 40 bytes long.
Data: <0E†Õà ÕN×à > 30 45 86 D5 E0 01 00 00 00 D5 4E D7 E0 01 00 00
{260} normal block at 0x000001E0D5863FE0, 16 bytes long.
Data: < O†Õà > A0 4F 86 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E0D58642B0, 16 bytes long.
Data: <xO†Õà > 78 4F 86 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E0D585C960, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001E0D5864A80, 16 bytes long.
Data: <PO†Õà > 50 4F 86 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001E0D5864F50, 992 bytes long.
Data: < J†Õà `É…Õà > 80 4A 86 D5 E0 01 00 00 60 C9 85 D5 E0 01 00 00
{92} normal block at 0x000001E0D585D3E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001E0D58565E0, 16 bytes long.
Data: <0ê…Õà > 30 EA 85 D5 E0 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001E0D585EA30, 40 bytes long.
Data: <àe…Õà àÓ…Õà > E0 65 85 D5 E0 01 00 00 E0 D3 85 D5 E0 01 00 00
{69} normal block at 0x000001E0D5857170, 16 bytes long.
Data: < ê«¿ö > 80 EA AB BF F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E0D5856DB0, 16 bytes long.
Data: <@é«¿ö > 40 E9 AB BF F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E0D5856CC0, 16 bytes long.
Data: <øW¨¿ö > F8 57 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E0D5856C70, 16 bytes long.
Data: <ØW¨¿ö > D8 57 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E0D5856680, 16 bytes long.
Data: <P ¨¿ö > 50 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E0D5856630, 16 bytes long.
Data: <0 ¨¿ö > 30 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E0D5856770, 16 bytes long.
Data: <à ¨¿ö > E0 02 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E0D5856C20, 16 bytes long.
Data: < ¨¿ö > 10 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E0D5857350, 16 bytes long.
Data: <p ¨¿ö > 70 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E0D5856E00, 16 bytes long.
Data: < À¦¿ö > 18 C0 A6 BF F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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