Task 38674548
| Name | test_335-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND6036_0 |
| Workunit | 31616579 |
| Created | 26 Oct 2026, 5:37:39 UTC |
| Sent | 26 Oct 2026, 5:37:44 UTC |
| Report deadline | 31 Oct 2026, 5:37:44 UTC |
| Received | 26 Oct 2026, 6:41:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 645443 |
| Run time | 46 min 42 sec |
| CPU time | 37 min 7 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 19,172.90 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 695.05 MB |
| Peak swap size | 3.89 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:57:19 (44868): wrapper (7.9.26016): starting
05:57:19 (44868): 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
05:57:24 (44868): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:57:24 (44868): 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
06:41:23 (44868): C:/Windows/system32/cmd.exe exited; CPU time 2227.437500
06:41:23 (44868): 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: 72443657 bytes.
Dumping objects ->
{3835267} normal block at 0x000001F8E02A0620, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835256} normal block at 0x000001F8E02A0E70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835245} normal block at 0x000001F8E02A0930, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835234} normal block at 0x000001F8E02A0D20, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835223} normal block at 0x000001F8E02A0C40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835192} normal block at 0x000001F8E1E8EF10, 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) : {3835179} normal block at 0x000001F8E1E46DB0, 8 bytes long.
Data: < \àø > 00 00 5C E0 F8 01 00 00
{3833969} normal block at 0x000001F8E1E46400, 8 bytes long.
Data: <P êáø > 50 81 EA E1 F8 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001F8E026C2E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001F8E0265E30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x000001F8E027AC80, 16 bytes long.
Data: <Há'àø > 48 E1 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001F8E027A370, 16 bytes long.
Data: < á'àø > 20 E1 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001F8E02769B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x000001F8E027A320, 16 bytes long.
Data: <øà'àø > F8 E0 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F8E027A870, 16 bytes long.
Data: <Ðà'àø > D0 E0 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F8E027A460, 16 bytes long.
Data: <¨à'àø > A8 E0 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F8E027AD70, 16 bytes long.
Data: < à'àø > 80 E0 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F8E02781E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x000001F8E027AC30, 16 bytes long.
Data: <XÛ'àø > 58 DB 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F8E02768F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x000001F8E027A1E0, 16 bytes long.
Data: <0Û'àø > 30 DB 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F8E027ABE0, 16 bytes long.
Data: < Û'àø > 08 DB 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F8E027A7D0, 16 bytes long.
Data: <àÚ'àø > E0 DA 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F8E027A730, 16 bytes long.
Data: <¸Ú'àø > B8 DA 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F8E027A6E0, 16 bytes long.
Data: < Ú'àø > 90 DA 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F8E027A690, 16 bytes long.
Data: <hÚ'àø > 68 DA 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F8E02762F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x000001F8E027A640, 16 bytes long.
Data: <@Ú'àø > 40 DA 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F8E027DA40, 320 bytes long.
Data: <@¦'àø ðb'àø > 40 A6 27 E0 F8 01 00 00 F0 62 27 E0 F8 01 00 00
{280} normal block at 0x000001F8E027AFA0, 16 bytes long.
Data: <`à'àø > 60 E0 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F8E027AB90, 16 bytes long.
Data: <8à'àø > 38 E0 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F8E02765F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x000001F8E027AAA0, 16 bytes long.
Data: < à'àø > 10 E0 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F8E02764D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x000001F8E027A230, 16 bytes long.
Data: <Xß'àø > 58 DF 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F8E027A0F0, 16 bytes long.
Data: <0ß'àø > 30 DF 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F8E027AA50, 16 bytes long.
Data: < ß'àø > 08 DF 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F8E027AD20, 16 bytes long.
Data: <àÞ'àø > E0 DE 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F8E027A5F0, 16 bytes long.
Data: <¸Þ'àø > B8 DE 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F8E027AE60, 16 bytes long.
Data: < Þ'àø > 90 DE 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F8E027AA00, 16 bytes long.
Data: <`…'àø > 60 85 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F8E0278560, 40 bytes long.
Data: < ª'àø ïèáø > 00 AA 27 E0 F8 01 00 00 10 EF E8 E1 F8 01 00 00
{266} normal block at 0x000001F8E027A2D0, 16 bytes long.
Data: <pÞ'àø > 70 DE 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F8E027A9B0, 16 bytes long.
Data: <HÞ'àø > 48 DE 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F8E02763B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000001F8E027AB40, 16 bytes long.
Data: < Þ'àø > 20 DE 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F8E027DE20, 992 bytes long.
Data: <@«'àø °c'àø > 40 AB 27 E0 F8 01 00 00 B0 63 27 E0 F8 01 00 00
{98} normal block at 0x000001F8E0276170, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000001F8E027A820, 16 bytes long.
Data: < ƒ'àø > A0 83 27 E0 F8 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001F8E02783A0, 40 bytes long.
Data: < ¨'àø pa'àø > 20 A8 27 E0 F8 01 00 00 70 61 27 E0 F8 01 00 00
{75} normal block at 0x000001F8E027A0A0, 16 bytes long.
Data: < ê6bö > 80 EA 36 62 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001F8E026DCF0, 16 bytes long.
Data: <@é6bö > 40 E9 36 62 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001F8E026DC50, 16 bytes long.
Data: <øW3bö > F8 57 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001F8E026DC00, 16 bytes long.
Data: <ØW3bö > D8 57 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F8E026DB60, 16 bytes long.
Data: <P 3bö > 50 04 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F8E026DB10, 16 bytes long.
Data: <0 3bö > 30 04 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F8E026DD90, 16 bytes long.
Data: <à 3bö > E0 02 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F8E026D200, 16 bytes long.
Data: < 3bö > 10 04 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F8E026DAC0, 16 bytes long.
Data: <p 3bö > 70 04 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F8E026DBB0, 16 bytes long.
Data: < À1bö > 18 C0 31 62 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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