Task 38688124
| Name | test_321-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND3331_0 |
| Workunit | 31629493 |
| Created | 28 Oct 2026, 11:50:29 UTC |
| Sent | 28 Oct 2026, 11:50:34 UTC |
| Report deadline | 2 Nov 2026, 11:50:34 UTC |
| Received | 28 Oct 2026, 14:36:06 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 628418 |
| Run time | 41 min 23 sec |
| CPU time | 40 min 57 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,171.24 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 710.56 MB |
| Peak swap size | 9.88 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:48:12 (18880): wrapper (7.9.26016): starting
13:48:12 (18880): 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
13:48:14 (18880): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:48:14 (18880): 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 'D:\BOINC_DATA\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 'D:\BOINC_DATA\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
14:28:28 (18880): C:/Windows/system32/cmd.exe exited; CPU time 2457.015625
14:28:28 (18880): 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: 40725743 bytes.
Dumping objects ->
{3835248} normal block at 0x000001C6237926E0, 48 bytes long.
Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835237} normal block at 0x000001C6237563E0, 32 bytes long.
Data: <HOME=D:\BOINC_DA> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835226} normal block at 0x000001C623756380, 32 bytes long.
Data: <TMP=D:\BOINC_DAT> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 54
{3835215} normal block at 0x000001C623755F60, 32 bytes long.
Data: <TEMP=D:\BOINC_DA> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835204} normal block at 0x000001C623756200, 32 bytes long.
Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F
{3835173} normal block at 0x000001C623792D70, 48 bytes long.
Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835162} normal block at 0x000001C621A59300, 200 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) : {3835159} normal block at 0x000001C621A576F0, 8 bytes long.
Data: < ž!Æ > 00 00 9E 21 C6 01 00 00
{3834561} normal block at 0x000001C621A5A2F0, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x000001C621A56DE0, 8 bytes long.
Data: < «¤!Æ > 00 AB A4 21 C6 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001C621A61E40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001C621A57F60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001C621A63510, 16 bytes long.
Data: <x@¦!Æ > 78 40 A6 21 C6 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C621A62ED0, 16 bytes long.
Data: <P@¦!Æ > 50 40 A6 21 C6 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C621A5BED0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001C621A63650, 16 bytes long.
Data: <(@¦!Æ > 28 40 A6 21 C6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C621A63B50, 16 bytes long.
Data: < @¦!Æ > 00 40 A6 21 C6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C621A635B0, 16 bytes long.
Data: <Ø?¦!Æ > D8 3F A6 21 C6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C621A63AB0, 16 bytes long.
Data: <°?¦!Æ > B0 3F A6 21 C6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C621A5D7E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001C621A63920, 16 bytes long.
Data: <¨Ò¥!Æ > A8 D2 A5 21 C6 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C621A5C590, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001C621A633D0, 16 bytes long.
Data: < Ò¥!Æ > 80 D2 A5 21 C6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C621A632E0, 16 bytes long.
Data: <XÒ¥!Æ > 58 D2 A5 21 C6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C621A62E80, 16 bytes long.
Data: <0Ò¥!Æ > 30 D2 A5 21 C6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C621A63BF0, 16 bytes long.
Data: < Ò¥!Æ > 08 D2 A5 21 C6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C621A63010, 16 bytes long.
Data: <àÑ¥!Æ > E0 D1 A5 21 C6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C621A63240, 16 bytes long.
Data: <¸Ñ¥!Æ > B8 D1 A5 21 C6 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C621A5B990, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001C621A63150, 16 bytes long.
Data: < Ñ¥!Æ > 90 D1 A5 21 C6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C621A5D190, 320 bytes long.
Data: <P1¦!Æ ¹¥!Æ > 50 31 A6 21 C6 01 00 00 90 B9 A5 21 C6 01 00 00
{276} normal block at 0x000001C621A636F0, 16 bytes long.
Data: < ?¦!Æ > 90 3F A6 21 C6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C621A63A60, 16 bytes long.
Data: <h?¦!Æ > 68 3F A6 21 C6 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C621A5BBD0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001C621A63880, 16 bytes long.
Data: <@?¦!Æ > 40 3F A6 21 C6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C621A5BE70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001C621A63470, 16 bytes long.
Data: < >¦!Æ > 88 3E A6 21 C6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C621A62DE0, 16 bytes long.
Data: <`>¦!Æ > 60 3E A6 21 C6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C621A63740, 16 bytes long.
Data: <8>¦!Æ > 38 3E A6 21 C6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C621A63600, 16 bytes long.
Data: < >¦!Æ > 10 3E A6 21 C6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C621A63100, 16 bytes long.
Data: <è=¦!Æ > E8 3D A6 21 C6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C621A638D0, 16 bytes long.
Data: <À=¦!Æ > C0 3D A6 21 C6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C621A63290, 16 bytes long.
Data: <°Ü¥!Æ > B0 DC A5 21 C6 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C621A5DCB0, 40 bytes long.
Data: < 2¦!Æ p-y#Æ > 90 32 A6 21 C6 01 00 00 70 2D 79 23 C6 01 00 00
{262} normal block at 0x000001C621A63060, 16 bytes long.
Data: < =¦!Æ > A0 3D A6 21 C6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C621A63B00, 16 bytes long.
Data: <x=¦!Æ > 78 3D A6 21 C6 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C621A5C530, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001C621A639C0, 16 bytes long.
Data: <P=¦!Æ > 50 3D A6 21 C6 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C621A63D50, 992 bytes long.
Data: <À9¦!Æ 0Å¥!Æ > C0 39 A6 21 C6 01 00 00 30 C5 A5 21 C6 01 00 00
{94} normal block at 0x000001C621A5BC30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001C621A56BB0, 16 bytes long.
Data: <p×¥!Æ > 70 D7 A5 21 C6 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001C621A5D770, 40 bytes long.
Data: <°k¥!Æ 0¼¥!Æ > B0 6B A5 21 C6 01 00 00 30 BC A5 21 C6 01 00 00
{71} normal block at 0x000001C621A57470, 16 bytes long.
Data: < ê#c÷ > 80 EA 23 63 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001C621A56B60, 16 bytes long.
Data: <@é#c÷ > 40 E9 23 63 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C621A56E80, 16 bytes long.
Data: <øW c÷ > F8 57 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C621A57420, 16 bytes long.
Data: <ØW c÷ > D8 57 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C621A56FC0, 16 bytes long.
Data: <P c÷ > 50 04 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C621A56F70, 16 bytes long.
Data: <0 c÷ > 30 04 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C621A57650, 16 bytes long.
Data: <à c÷ > E0 02 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C621A57060, 16 bytes long.
Data: < c÷ > 10 04 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C621A57560, 16 bytes long.
Data: <p c÷ > 70 04 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C621A572E0, 16 bytes long.
Data: < À c÷ > 18 C0 1E 63 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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