Task 38685777

Name test_223-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND9073_0
Workunit 31627235
Created 27 Oct 2026, 22:53:10 UTC
Sent 27 Oct 2026, 22:53:17 UTC
Report deadline 1 Nov 2026, 22:53:17 UTC
Received 27 Oct 2026, 23:43:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647966
Run time 47 min 21 sec
CPU time 45 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 750.80 MB
Peak swap size 13.43 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:51:41 (14192): wrapper (7.9.26016): starting
05:51:41 (14192): 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
05:51:42 (14192): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:51:42 (14192): 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\4\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\4\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
06:38:01 (14192): C:/Windows/system32/cmd.exe exited; CPU time 2750.812500
06:38:01 (14192): 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: 41599319 bytes.
Dumping objects ->
{3835234} normal block at 0x0000013AC9325D70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000013AC9325FA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000013AC9325F30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x0000013AC9325EC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000013AC9325D00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x0000013ACB017440, 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) : {3835146} normal block at 0x0000013AC931B6F0, 8 bytes long.
 Data: <  /&#201;:   > 00 00 2F C9 3A 01 00 00 
{3833977} normal block at 0x0000013AC931B290, 8 bytes long.
 Data: <0&#235;&#242;&#202;:   > 30 EB F2 CA 3A 01 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000013AC9322480, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000013AC9317090, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x0000013AC9326B00, 16 bytes long.
 Data: < {2&#201;:           > 18 7B 32 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000013AC9326F10, 16 bytes long.
 Data: <&#240;z2&#201;:           > F0 7A 32 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000013AC931F980, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x0000013AC93269C0, 16 bytes long.
 Data: <&#200;z2&#201;:           > C8 7A 32 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000013AC9326970, 16 bytes long.
 Data: <&#160;z2&#201;:           > A0 7A 32 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000013AC93275F0, 16 bytes long.
 Data: <xz2&#201;:           > 78 7A 32 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000013AC9327370, 16 bytes long.
 Data: <Pz2&#201;:           > 50 7A 32 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000013AC93260F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x0000013AC9326920, 16 bytes long.
 Data: <H&#249;0&#201;:           > 48 F9 30 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000013AC931F500, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x0000013AC9327190, 16 bytes long.
 Data: < &#249;0&#201;:           > 20 F9 30 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000013AC9327550, 16 bytes long.
 Data: <&#248;&#248;0&#201;:           > F8 F8 30 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000013AC9326CE0, 16 bytes long.
 Data: <&#208;&#248;0&#201;:           > D0 F8 30 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000013AC9326C90, 16 bytes long.
 Data: <&#168;&#248;0&#201;:           > A8 F8 30 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000013AC9327320, 16 bytes long.
 Data: < &#248;0&#201;:           > 80 F8 30 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000013AC93268D0, 16 bytes long.
 Data: <X&#248;0&#201;:           > 58 F8 30 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000013AC931F260, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{286} normal block at 0x0000013AC93276E0, 16 bytes long.
 Data: <0&#248;0&#201;:           > 30 F8 30 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000013AC930F830, 320 bytes long.
 Data: <&#224;v2&#201;:   `&#242;1&#201;:   > E0 76 32 C9 3A 01 00 00 60 F2 31 C9 3A 01 00 00 
{284} normal block at 0x0000013AC9326D30, 16 bytes long.
 Data: <0z2&#201;:           > 30 7A 32 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000013AC9327050, 16 bytes long.
 Data: < z2&#201;:           > 08 7A 32 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000013AC931FB00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x0000013AC9326880, 16 bytes long.
 Data: <&#224;y2&#201;:           > E0 79 32 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013AC931F4A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x0000013AC9326B50, 16 bytes long.
 Data: <(y2&#201;:           > 28 79 32 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000013AC9326FB0, 16 bytes long.
 Data: < y2&#201;:           > 00 79 32 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000013AC9327780, 16 bytes long.
 Data: <&#216;x2&#201;:           > D8 78 32 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000013AC93272D0, 16 bytes long.
 Data: <&#176;x2&#201;:           > B0 78 32 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000013AC9327500, 16 bytes long.
 Data: < x2&#201;:           > 88 78 32 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000013AC93274B0, 16 bytes long.
 Data: <`x2&#201;:           > 60 78 32 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000013AC9326C40, 16 bytes long.
 Data: <`a2&#201;:           > 60 61 32 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000013AC9326160, 40 bytes long.
 Data: <@l2&#201;:   @t &#203;:   > 40 6C 32 C9 3A 01 00 00 40 74 01 CB 3A 01 00 00 
{270} normal block at 0x0000013AC9326830, 16 bytes long.
 Data: <@x2&#201;:           > 40 78 32 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000013AC9326EC0, 16 bytes long.
 Data: < x2&#201;:           > 18 78 32 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000013AC931F5C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x0000013AC9326F60, 16 bytes long.
 Data: <&#240;w2&#201;:           > F0 77 32 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000013AC93277F0, 992 bytes long.
 Data: <`o2&#201;:   &#192;&#245;1&#201;:   > 60 6F 32 C9 3A 01 00 00 C0 F5 31 C9 3A 01 00 00 
{102} normal block at 0x0000013AC931F440, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x0000013AC931BBA0, 16 bytes long.
 Data: <P&#240;0&#201;:           > 50 F0 30 C9 3A 01 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x0000013AC930F050, 40 bytes long.
 Data: <&#160;&#187;1&#201;:   @&#244;1&#201;:   > A0 BB 31 C9 3A 01 00 00 40 F4 31 C9 3A 01 00 00 
{79} normal block at 0x0000013AC931BB50, 16 bytes long.
 Data: < &#234;&#211;&#237;&#246;           > 80 EA D3 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000013AC931BD80, 16 bytes long.
 Data: <@&#233;&#211;&#237;&#246;           > 40 E9 D3 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000013AC931BCE0, 16 bytes long.
 Data: <&#248;W&#208;&#237;&#246;           > F8 57 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000013AC931BF10, 16 bytes long.
 Data: <&#216;W&#208;&#237;&#246;           > D8 57 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000013AC931B4C0, 16 bytes long.
 Data: <P &#208;&#237;&#246;           > 50 04 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000013AC931BB00, 16 bytes long.
 Data: <0 &#208;&#237;&#246;           > 30 04 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000013AC931B0B0, 16 bytes long.
 Data: <&#224; &#208;&#237;&#246;           > E0 02 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000013AC931B740, 16 bytes long.
 Data: <  &#208;&#237;&#246;           > 10 04 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000013AC931B5B0, 16 bytes long.
 Data: <p &#208;&#237;&#246;           > 70 04 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000013AC931B7E0, 16 bytes long.
 Data: < &#192;&#206;&#237;&#246;           > 18 C0 CE ED F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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