Task 38687591

Name test_287-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND9350_0
Workunit 31628976
Created 28 Oct 2026, 8:38:18 UTC
Sent 28 Oct 2026, 8:38:24 UTC
Report deadline 2 Nov 2026, 8:38:24 UTC
Received 28 Oct 2026, 10:28:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628418
Run time 39 min 24 sec
CPU time 38 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 708.66 MB
Peak swap size 9.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
09:44:46 (11984): wrapper (7.9.26016): starting
09:44:46 (11984): 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
09:44:47 (11984): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:44:47 (11984): 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
10:23:02 (11984): C:/Windows/system32/cmd.exe exited; CPU time 2337.359375
10:23:02 (11984): 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: 38252609 bytes.
Dumping objects ->
{3835248} normal block at 0x0000024C26ACBA90, 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 0x0000024C26B64F20, 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 0x0000024C26B64380, 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 0x0000024C26B649E0, 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 0x0000024C26B63A20, 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 0x0000024C26ACB390, 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 0x0000024C24FD98E0, 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 0x0000024C24FD7AC0, 8 bytes long.
 Data: <  &#250;$L   > 00 00 FA 24 4C 02 00 00 
{3834561} normal block at 0x0000024C24FD9E30, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000024C24FD8330, 8 bytes long.
 Data: <&#160;%&#186;&L   > A0 25 BA 26 4C 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000024C24FE2720, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024C24FCD8E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000024C24FE4480, 16 bytes long.
 Data: < J&#254;$L           > 98 4A FE 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024C24FE3CB0, 16 bytes long.
 Data: <pJ&#254;$L           > 70 4A FE 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024C24FDDF00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000024C24FE4430, 16 bytes long.
 Data: <HJ&#254;$L           > 48 4A FE 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024C24FE3C10, 16 bytes long.
 Data: < J&#254;$L           > 20 4A FE 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024C24FE4110, 16 bytes long.
 Data: <&#248;I&#254;$L           > F8 49 FE 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024C24FE40C0, 16 bytes long.
 Data: <&#208;I&#254;$L           > D0 49 FE 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024C24FDC5C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000024C24FE3B70, 16 bytes long.
 Data: <&#200;`&#252;$L           > C8 60 FC 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024C24FDDE40, 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 0x0000024C24FE3B20, 16 bytes long.
 Data: <&#160;`&#252;$L           > A0 60 FC 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024C24FE3D00, 16 bytes long.
 Data: <x`&#252;$L           > 78 60 FC 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024C24FE3DA0, 16 bytes long.
 Data: <P`&#252;$L           > 50 60 FC 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024C24FE4070, 16 bytes long.
 Data: <(`&#252;$L           > 28 60 FC 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024C24FE46B0, 16 bytes long.
 Data: < `&#252;$L           > 00 60 FC 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024C24FE39E0, 16 bytes long.
 Data: <&#216;_&#252;$L           > D8 5F FC 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024C24FDE200, 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 0x0000024C24FE4020, 16 bytes long.
 Data: <&#176;_&#252;$L           > B0 5F FC 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024C24FC5FB0, 320 bytes long.
 Data: < @&#254;$L    &#226;&#253;$L   > 20 40 FE 24 4C 02 00 00 00 E2 FD 24 4C 02 00 00 
{276} normal block at 0x0000024C24FE3F80, 16 bytes long.
 Data: <&#176;I&#254;$L           > B0 49 FE 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024C24FE3AD0, 16 bytes long.
 Data: < I&#254;$L           > 88 49 FE 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024C24FDE380, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000024C24FE37B0, 16 bytes long.
 Data: <`I&#254;$L           > 60 49 FE 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024C24FDE9E0, 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 0x0000024C24FE4160, 16 bytes long.
 Data: <&#168;H&#254;$L           > A8 48 FE 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024C24FE3D50, 16 bytes long.
 Data: < H&#254;$L           > 80 48 FE 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024C24FE4390, 16 bytes long.
 Data: <XH&#254;$L           > 58 48 FE 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024C24FE3A80, 16 bytes long.
 Data: <0H&#254;$L           > 30 48 FE 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024C24FE3A30, 16 bytes long.
 Data: < H&#254;$L           > 08 48 FE 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024C24FE4700, 16 bytes long.
 Data: <&#224;G&#254;$L           > E0 47 FE 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024C24FE3F30, 16 bytes long.
 Data: <&#208;&#200;&#253;$L           > D0 C8 FD 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024C24FDC8D0, 40 bytes long.
 Data: <0?&#254;$L    &#179;&#172;&L   > 30 3F FE 24 4C 02 00 00 90 B3 AC 26 4C 02 00 00 
{262} normal block at 0x0000024C24FE3EE0, 16 bytes long.
 Data: <&#192;G&#254;$L           > C0 47 FE 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024C24FE3940, 16 bytes long.
 Data: < G&#254;$L           > 98 47 FE 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024C24FDE320, 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 0x0000024C24FE4660, 16 bytes long.
 Data: <pG&#254;$L           > 70 47 FE 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024C24FE4770, 992 bytes long.
 Data: <`F&#254;$L    &#227;&#253;$L   > 60 46 FE 24 4C 02 00 00 20 E3 FD 24 4C 02 00 00 
{94} normal block at 0x0000024C24FDE740, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000024C24FD7520, 16 bytes long.
 Data: <&#240;&#199;&#253;$L           > F0 C7 FD 24 4C 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000024C24FDC7F0, 40 bytes long.
 Data: < u&#253;$L   @&#231;&#253;$L   > 20 75 FD 24 4C 02 00 00 40 E7 FD 24 4C 02 00 00 
{71} normal block at 0x0000024C24FD8240, 16 bytes long.
 Data: < &#234;#c&#247;           > 80 EA 23 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024C24FD7C00, 16 bytes long.
 Data: <@&#233;#c&#247;           > 40 E9 23 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024C24FD7B10, 16 bytes long.
 Data: <&#248;W c&#247;           > F8 57 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024C24FD8010, 16 bytes long.
 Data: <&#216;W c&#247;           > D8 57 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024C24FD7A70, 16 bytes long.
 Data: <P  c&#247;           > 50 04 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024C24FD76B0, 16 bytes long.
 Data: <0  c&#247;           > 30 04 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024C24FD7E80, 16 bytes long.
 Data: <&#224;  c&#247;           > E0 02 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024C24FD7980, 16 bytes long.
 Data: <   c&#247;           > 10 04 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024C24FD7A20, 16 bytes long.
 Data: <p  c&#247;           > 70 04 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024C24FD74D0, 16 bytes long.
 Data: < &#192; c&#247;           > 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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